A molecule is a group of two or more
atoms held together by attractive forces known as
chemical bond
A chemical bond is a lasting attraction between atoms or ions that enables the formation of molecules and crystals. The bond may result from the electrostatic force between oppositely charged ions as in ionic bonds, or through the sharing o ...
s; depending on context, the term may or may not include
ions which satisfy this criterion.
In
quantum physics
Quantum mechanics is a fundamental theory in physics that provides a description of the physical properties of nature at the scale of atoms and subatomic particles. It is the foundation of all quantum physics including quantum chemistry, q ...
,
organic chemistry, and
biochemistry
Biochemistry or biological chemistry is the study of chemical processes within and relating to living organisms. A sub-discipline of both chemistry and biology, biochemistry may be divided into three fields: structural biology, enzymology and ...
, the distinction from ions is dropped and ''molecule'' is often used when referring to
polyatomic ions.
A molecule may be
homonuclear, that is, it consists of atoms of one
chemical element
A chemical element is a species of atoms that have a given number of protons in their nuclei, including the pure substance consisting only of that species. Unlike chemical compounds, chemical elements cannot be broken down into simpler sub ...
, e.g. two atoms in the
oxygen molecule (O
2); or it may be
heteronuclear
A heteronuclear molecule is a molecule composed of atoms of more than one chemical element. For example, a molecule of water (H2O) is heteronuclear because it has atoms of two different elements, hydrogen (H) and oxygen (O).
Similarly, a heteronu ...
, a
chemical compound
A chemical compound is a chemical substance composed of many identical molecules (or molecular entities) containing atoms from more than one chemical element held together by chemical bonds. A molecule consisting of atoms of only one elemen ...
composed of more than one element, e.g.
water (two hydrogen atoms and one oxygen atom; H
2O). In the
kinetic theory of gases
Kinetic (Ancient Greek: κίνησις “kinesis”, movement or to move) may refer to:
* Kinetic theory, describing a gas as particles in random motion
* Kinetic energy, the energy of an object that it possesses due to its motion
Art and ente ...
, the term ''molecule'' is often used for any gaseous
particle
In the physical sciences, a particle (or corpuscule in older texts) is a small localized object which can be described by several physical or chemical properties, such as volume, density, or mass.
They vary greatly in size or quantity, from s ...
regardless of its composition. This relaxes the requirement that a molecule contains two or more atoms, since the
noble gases
The noble gases (historically also the inert gases; sometimes referred to as aerogens) make up a class of chemical elements with similar properties; under standard conditions, they are all odorless, colorless, monatomic gases with very low che ...
are individual atoms. Atoms and complexes connected by
non-covalent interactions, such as
hydrogen bonds or
ionic bond
Ionic bonding is a type of chemical bonding that involves the electrostatic attraction between oppositely charged ions, or between two atoms with sharply different electronegativities, and is the primary interaction occurring in ionic compounds. ...
s, are typically not considered single molecules.
Concepts similar to molecules have been discussed since ancient times, but modern investigation into the nature of molecules and their bonds began in the 17th century. Refined over time by scientists such as
Robert Boyle,
Amedeo Avogadro
Lorenzo Romano Amedeo Carlo Avogadro, Count of Quaregna and Cerreto (, also , ; 9 August 17769 July 1856) was an Italian scientist, most noted for his contribution to molecular theory now known as Avogadro's law, which states that equal volum ...
,
Jean Perrin
Jean Baptiste Perrin (30 September 1870 – 17 April 1942) was a French physicist who, in his studies of the Brownian motion of minute particles suspended in liquids ( sedimentation equilibrium), verified Albert Einstein’s explanation of this ...
, and
Linus Pauling, the study of molecules is today known as
molecular physics or molecular chemistry.
Etymology
According to
Merriam-Webster and the
Online Etymology Dictionary, the word "molecule" derives from the
Latin "
moles" or small unit of mass. The word is derived from French ' (1678), from
New Latin
New Latin (also called Neo-Latin or Modern Latin) is the revival of Literary Latin used in original, scholarly, and scientific works since about 1500. Modern scholarly and technical nomenclature, such as in zoological and botanical taxonomy a ...
', diminutive of Latin ' "mass, barrier". The word, which until the late 18th century was used only in Latin form, became popular after being used in works of philosophy by
Descartes.
History
The definition of the molecule has evolved as knowledge of the structure of molecules has increased. Earlier definitions were less precise, defining molecules as the smallest
particles
In the physical sciences, a particle (or corpuscule in older texts) is a small localized object which can be described by several physical or chemical properties, such as volume, density, or mass.
They vary greatly in size or quantity, from su ...
of pure
chemical substance
A chemical substance is a form of matter having constant chemical composition and characteristic properties. Some references add that chemical substance cannot be separated into its constituent elements by physical separation methods, i.e., wit ...
s that still retain their
composition
Composition or Compositions may refer to:
Arts and literature
*Composition (dance), practice and teaching of choreography
*Composition (language), in literature and rhetoric, producing a work in spoken tradition and written discourse, to include v ...
and chemical properties. This definition often breaks down since many substances in ordinary experience, such as
rocks
In geology, rock (or stone) is any naturally occurring solid mass or aggregate of minerals or mineraloid matter. It is categorized by the minerals included, its chemical composition, and the way in which it is formed. Rocks form the Earth's o ...
,
salts
In chemistry, a salt is a chemical compound consisting of an ionic assembly of positively charged cations and negatively charged anions, which results in a compound with no net electric charge. A common example is table salt, with positively cha ...
, and
metal
A metal (from Greek μέταλλον ''métallon'', "mine, quarry, metal") is a material that, when freshly prepared, polished, or fractured, shows a lustrous appearance, and conducts electricity and heat relatively well. Metals are typica ...
s, are composed of large crystalline networks of
chemically bonded atoms or
ion
An ion () is an atom or molecule with a net electrical charge.
The charge of an electron is considered to be negative by convention and this charge is equal and opposite to the charge of a proton, which is considered to be positive by conv ...
s, but are not made of discrete molecules.
The modern concept of molecules can be traced back towards pre-scientific and Greek philosophers such as
Leucippus and
Democritus
Democritus (; el, Δημόκριτος, ''Dēmókritos'', meaning "chosen of the people"; – ) was an Ancient Greek pre-Socratic philosopher from Abdera, primarily remembered today for his formulation of an atomic theory of the universe. N ...
who argued that all the universe is composed of
atoms and voids. Circa 450 BC
Empedocles imagined
fundamental elements (
fire
Fire is the rapid oxidation of a material (the fuel) in the exothermic chemical process of combustion, releasing heat, light, and various reaction Product (chemistry), products.
At a certain point in the combustion reaction, called the ignition ...
(
),
earth (
),
air
The atmosphere of Earth is the layer of gases, known collectively as air, retained by Earth's gravity that surrounds the planet and forms its planetary atmosphere. The atmosphere of Earth protects life on Earth by creating pressure allowing for ...
(
), and
water (
)) and "forces" of attraction and repulsion allowing the elements to interact.
A fifth element, the incorruptible quintessence
aether, was considered to be the fundamental building block of the heavenly bodies. The viewpoint of Leucippus and Empedocles, along with the aether, was accepted by
Aristotle and passed to medieval and renaissance Europe.
In a more concrete manner, however, the concept of aggregates or units of bonded atoms, i.e. "molecules", traces its origins to
Robert Boyle's 1661 hypothesis, in his famous treatise ''
The Sceptical Chymist
''The Sceptical Chymist: or Chymico-Physical Doubts & Paradoxes'' is the title of a book by Robert Boyle, published in London in 1661. In the form of a dialogue, the ''Sceptical Chymist'' presented Boyle's hypothesis that matter consisted of corp ...
'', that matter is composed of ''clusters of particles'' and that chemical change results from the rearrangement of the clusters. Boyle argued that matter's basic elements consisted of various sorts and sizes of particles, called "corpuscles", which were capable of arranging themselves into groups. In 1789,
William Higgins published views on what he called combinations of "ultimate" particles, which foreshadowed the concept of
valency bonds. If, for example, according to Higgins, the force between the ultimate particle of oxygen and the ultimate particle of nitrogen were 6, then the strength of the force would be divided accordingly, and similarly for the other combinations of ultimate particles.
Amedeo Avogadro
Lorenzo Romano Amedeo Carlo Avogadro, Count of Quaregna and Cerreto (, also , ; 9 August 17769 July 1856) was an Italian scientist, most noted for his contribution to molecular theory now known as Avogadro's law, which states that equal volum ...
created the word "molecule".
His 1811 paper "Essay on Determining the Relative Masses of the Elementary Molecules of Bodies", he essentially states, i.e. according to
Partington
Partington is a town and civil parish in the Metropolitan Borough of Trafford, Greater Manchester, England, south-west of Manchester city centre. Within the boundaries of the historic county of Cheshire, it lies on the southern bank of the ...
's ''A Short History of Chemistry'', that:In coordination with these concepts, in 1833 the French chemist
Marc Antoine Auguste Gaudin
Marc Antoine Auguste Gaudin (5 April 1804 – 2 August 1880) was a French chemist.
He was a pioneer in photography and contributed to the Avogadro's gas law by proposing that some elements form diatomic or polyatomic gas.
See also
*Corundum
* G ...
presented a clear account of Avogadro's hypothesis, regarding atomic weights, by making use of "volume diagrams", which clearly show both semi-correct molecular geometries, such as a linear water molecule, and correct molecular formulas, such as H
2O:
In 1917, an unknown American undergraduate chemical engineer named
Linus Pauling was learning the
Dalton hook-and-eye bonding method, which was the mainstream description of bonds between atoms at the time. Pauling, however, wasn't satisfied with this method and looked to the newly emerging field of quantum physics for a new method. In 1926, French physicist
Jean Perrin
Jean Baptiste Perrin (30 September 1870 – 17 April 1942) was a French physicist who, in his studies of the Brownian motion of minute particles suspended in liquids ( sedimentation equilibrium), verified Albert Einstein’s explanation of this ...
received the Nobel Prize in physics for proving, conclusively, the existence of molecules. He did this by calculating
Avogadro's number
The Avogadro constant, commonly denoted or , is the proportionality factor that relates the number of constituent particles (usually molecules, atoms or ions) in a sample with the amount of substance in that sample. It is an SI defining con ...
using three different methods, all involving liquid phase systems. First, he used a
gamboge
Gamboge ( , ) is a partially transparent deep saffron to mustard yellow pigment.Other forms and spellings are: cambodia, cambogium, camboge, cambugium, gambaugium, gambogia, gambozia, gamboidea, gambogium, gumbouge, gambouge, gamboge, gambooge, g ...
soap-like emulsion, second by doing experimental work on
Brownian motion
Brownian motion, or pedesis (from grc, πήδησις "leaping"), is the random motion of particles suspended in a medium (a liquid or a gas).
This pattern of motion typically consists of random fluctuations in a particle's position ins ...
, and third by confirming Einstein's theory of particle rotation in the liquid phase.
In 1927, the physicists
Fritz London
Fritz Wolfgang London (March 7, 1900 – March 30, 1954) was a German physicist and professor at Duke University. His fundamental contributions to the theories of chemical bonding and of intermolecular forces (London dispersion forces) are today c ...
and
Walter Heitler applied the new quantum mechanics to the deal with the saturable, nondynamic forces of attraction and repulsion, i.e., exchange forces, of the hydrogen molecule. Their valence bond treatment of this problem, in their joint paper, was a landmark in that it brought chemistry under quantum mechanics. Their work was an influence on Pauling, who had just received his doctorate and visited Heitler and London in Zürich on a
Guggenheim Fellowship.
Subsequently, in 1931, building on the work of Heitler and London and on theories found in Lewis' famous article, Pauling published his ground-breaking article "The Nature of the Chemical Bond" in which he used
quantum mechanics to calculate properties and structures of molecules, such as angles between bonds and rotation about bonds. On these concepts, Pauling developed
hybridization theory to account for bonds in molecules such as CH
4, in which four sp³ hybridised orbitals are overlapped by
hydrogen's ''1s'' orbital, yielding four
sigma (σ) bonds. The four bonds are of the same length and strength, which yields a molecular structure as shown below:
Molecular science
The science of molecules is called ''molecular chemistry'' or ''
molecular physics'', depending on whether the focus is on chemistry or physics. Molecular chemistry deals with the laws governing the interaction between molecules that results in the formation and breakage of chemical bonds, while molecular physics deals with the laws governing their structure and properties. In practice, however, this distinction is vague. In molecular sciences, a molecule consists of a stable system (
bound state
Bound or bounds may refer to:
Mathematics
* Bound variable
* Upper and lower bounds, observed limits of mathematical functions
Physics
* Bound state, a particle that has a tendency to remain localized in one or more regions of space
Geography
* ...
) composed of two or more atoms.
Polyatomic ions may sometimes be usefully thought of as electrically charged molecules. The term ''unstable molecule'' is used for very
reactive species, i.e., short-lived assemblies (
resonances
Resonance describes the phenomenon of increased amplitude that occurs when the frequency of an applied periodic force (or a Fourier component of it) is equal or close to a natural frequency of the system on which it acts. When an oscillat ...
) of electrons and
nuclei, such as
radicals
Radical may refer to:
Politics and ideology Politics
*Radical politics, the political intent of fundamental societal change
*Radicalism (historical), the Radical Movement that began in late 18th century Britain and spread to continental Europe and ...
, molecular
ion
An ion () is an atom or molecule with a net electrical charge.
The charge of an electron is considered to be negative by convention and this charge is equal and opposite to the charge of a proton, which is considered to be positive by conv ...
s,
Rydberg molecule
A Rydberg molecule is an electronically excited chemical species. Electronically excited molecular states are generally quite different in character from electronically excited atomic states. However, particularly for highly electronically excited ...
s,
transition states,
van der Waals complexes, or systems of colliding atoms as in
Bose–Einstein condensate
In condensed matter physics, a Bose–Einstein condensate (BEC) is a state of matter that is typically formed when a gas of bosons at very low densities is cooled to temperatures very close to absolute zero (−273.15 °C or −459.67&nb ...
.
Prevalence
Molecules as components of matter are common. They also make up most of the oceans and atmosphere. Most organic substances are molecules. The substances of life are molecules, e.g. proteins, the amino acids of which they are composed, the nucleic acids (DNA and RNA), sugars, carbohydrates, fats, and vitamins. The nutrient minerals are generally ionic compounds, thus they are not molecules, e.g. iron sulfate.
However, the majority of familiar solid substances on Earth are made partly or completely of crystals or ionic compounds, which are not made of molecules. These include all of the minerals that make up the substance of the Earth, sand, clay, pebbles, rocks, boulders,
bedrock
In geology, bedrock is solid rock that lies under loose material (regolith) within the crust of Earth or another terrestrial planet.
Definition
Bedrock is the solid rock that underlies looser surface material. An exposed portion of bedro ...
, the
molten interior, and the
core of the Earth. All of these contain many chemical bonds, but are ''not'' made of identifiable molecules.
No typical molecule can be defined for salts nor for
covalent crystals, although these are often composed of repeating
unit cell
In geometry, biology, mineralogy and solid state physics, a unit cell is a repeating unit formed by the vectors spanning the points of a lattice. Despite its suggestive name, the unit cell (unlike a unit vector, for example) does not necessaril ...
s that extend either in a
plane
Plane(s) most often refers to:
* Aero- or airplane, a powered, fixed-wing aircraft
* Plane (geometry), a flat, 2-dimensional surface
Plane or planes may also refer to:
Biology
* Plane (tree) or ''Platanus'', wetland native plant
* ''Planes' ...
, e.g.
graphene
Graphene () is an allotrope of carbon consisting of a single layer of atoms arranged in a hexagonal lattice nanostructure. ; or three-dimensionally e.g.
diamond,
quartz,
sodium chloride. The theme of repeated unit-cellular-structure also holds for most metals which are condensed phases with
metallic bonding. Thus solid metals are not made of molecules. In
glasses, which are solids that exist in a vitreous disordered state, the atoms are held together by chemical bonds with no presence of any definable molecule, nor any of the regularity of repeating unit-cellular-structure that characterizes salts, covalent crystals, and metals.
Bonding
Molecules are generally held together by
covalent bonding
A covalent bond is a chemical bond that involves the sharing of electrons to form electron pairs between atoms. These electron pairs are known as shared pairs or bonding pairs. The stable balance of attractive and repulsive forces between atom ...
. Several non-metallic elements exist only as molecules in the environment either in compounds or as homonuclear molecules, not as free atoms: for example, hydrogen.
While some people say a metallic crystal can be considered a single giant molecule held together by
metallic bonding, others point out that metals behave very differently than molecules.
Covalent
A covalent bond is a chemical bond that involves the sharing of
electron pairs between atoms. These electron pairs are termed ''shared pairs'' or ''bonding pairs'', and the stable balance of attractive and repulsive forces between atoms, when they share electrons, is termed ''covalent bonding''.
Ionic
Ionic bonding is a type of chemical bond that involves the
electrostatic attraction between oppositely charged ions, and is the primary interaction occurring in
ionic compounds. The ions are atoms that have lost one or more
electrons (termed
cation
An ion () is an atom or molecule with a net electrical charge.
The charge of an electron is considered to be negative by convention and this charge is equal and opposite to the charge of a proton, which is considered to be positive by conven ...
s) and atoms that have gained one or more electrons (termed
anion
An ion () is an atom or molecule with a net electrical charge.
The charge of an electron is considered to be negative by convention and this charge is equal and opposite to the charge of a proton, which is considered to be positive by conven ...
s). This transfer of electrons is termed ''electrovalence'' in contrast to
covalence
A covalent bond is a chemical bond that involves the sharing of electrons to form electron pairs between atoms. These electron pairs are known as shared pairs or bonding pairs. The stable balance of attractive and repulsive forces between atom ...
. In the simplest case, the cation is a
metal
A metal (from Greek μέταλλον ''métallon'', "mine, quarry, metal") is a material that, when freshly prepared, polished, or fractured, shows a lustrous appearance, and conducts electricity and heat relatively well. Metals are typica ...
atom and the anion is a
nonmetal
In chemistry, a nonmetal is a chemical element that generally lacks a predominance of metallic properties; they range from colorless gases (like hydrogen) to shiny solids (like carbon, as graphite). The electrons in nonmetals behave differentl ...
atom, but these ions can be of a more complicated nature, e.g. molecular ions like NH
4+ or SO
42−. At normal temperatures and pressures, ionic bonding mostly creates solids (or occasionally liquids) without separate identifiable molecules, but the vaporization/sublimation of such materials does produce separate molecules where electrons are still transferred fully enough for the bonds to be considered ionic rather than covalent.
Molecular size
Most molecules are far too small to be seen with the naked eye, although molecules of many
polymers can reach
macroscopic
The macroscopic scale is the length scale on which objects or phenomena are large enough to be visible with the naked eye, without magnifying optical instruments. It is the opposite of microscopic.
Overview
When applied to physical phenomena a ...
sizes, including
biopolymer
Biopolymers are natural polymers produced by the cells of living organisms. Like other polymers, biopolymers consist of monomeric units that are covalently bonded in chains to form larger molecules. There are three main classes of biopolymers, cl ...
s such as
DNA. Molecules commonly used as building blocks for organic synthesis have a dimension of a few
angstrom
The angstromEntry "angstrom" in the Oxford online dictionary. Retrieved on 2019-03-02 from https://en.oxforddictionaries.com/definition/angstrom.Entry "angstrom" in the Merriam-Webster online dictionary. Retrieved on 2019-03-02 from https://www.m ...
s (Å) to several dozen Å, or around one billionth of a meter. Single molecules cannot usually be observed by
light (as noted above), but small molecules and even the outlines of individual atoms may be traced in some circumstances by use of an
atomic force microscope
Atomic force microscopy (AFM) or scanning force microscopy (SFM) is a very-high-resolution type of scanning probe microscopy (SPM), with demonstrated resolution on the order of fractions of a nanometer, more than 1000 times better than the op ...
. Some of the largest molecules are
macromolecules or
supermolecule
The term supermolecule (or supramolecule) was introduced by Karl Lothar Wolf ''et al.'' (''Übermoleküle'') in 1937 to describe hydrogen-bonded acetic acid dimers. The study of non-covalent association of complexes of molecules has since develop ...
s.
The smallest molecule is the
diatomic
Diatomic molecules () are molecules composed of only two atoms, of the same or different chemical elements. If a diatomic molecule consists of two atoms of the same element, such as hydrogen () or oxygen (), then it is said to be homonuclear. Ot ...
hydrogen (H
2), with a bond length of 0.74 Å.
Effective molecular radius is the size a molecule displays in solution.
The
table of permselectivity for different substances contains examples.
Molecular formulas
Chemical formula types
The
chemical formula for a molecule uses one line of chemical element symbols, numbers, and sometimes also other symbols, such as parentheses, dashes, brackets, and ''plus'' (+) and ''minus'' (−) signs. These are limited to one typographic line of symbols, which may include subscripts and superscripts.
A compound's
empirical formula
In chemistry, the empirical formula of a chemical compound is the simplest whole number ratio of atoms present in a compound. A simple example of this concept is that the empirical formula of sulfur monoxide, or SO, would simply be SO, as is the ...
is a very simple type of chemical formula. It is the simplest
integer ratio
In mathematics, a ratio shows how many times one number
A number is a mathematical object used to count, measure, and label. The original examples are the natural numbers 1, 2, 3, 4, and so forth. Numbers can be represented in lan ...
of the chemical elements that constitute it. For example, water is always composed of a 2:1 ratio of hydrogen to oxygen atoms, and
ethanol (ethyl alcohol) is always composed of carbon, hydrogen, and oxygen in a 2:6:1 ratio. However, this does not determine the kind of molecule uniquely –
dimethyl ether has the same ratios as ethanol, for instance. Molecules with the same
atoms in different arrangements are called
isomers. Also carbohydrates, for example, have the same ratio (carbon:hydrogen:oxygen= 1:2:1) (and thus the same empirical formula) but different total numbers of atoms in the molecule.
The
molecular formula reflects the exact number of atoms that compose the molecule and so characterizes different molecules. However different isomers can have the same atomic composition while being different molecules.
The empirical formula is often the same as the molecular formula but not always. For example, the molecule
acetylene
Acetylene (systematic name: ethyne) is the chemical compound with the formula and structure . It is a hydrocarbon and the simplest alkyne. This colorless gas is widely used as a fuel and a chemical building block. It is unstable in its pure f ...
has molecular formula C
2H
2, but the simplest integer ratio of elements is CH.
The
molecular mass
The molecular mass (''m'') is the mass of a given molecule: it is measured in daltons (Da or u). Different molecules of the same compound may have different molecular masses because they contain different isotopes of an element. The related quanti ...
can be calculated from the chemical formula and is expressed in conventional
atomic mass unit
The dalton or unified atomic mass unit (symbols: Da or u) is a non-SI unit of mass widely used in physics and chemistry. It is defined as of the mass of an unbound neutral atom of carbon-12 in its nuclear and electronic ground state and at r ...
s equal to 1/12 of the mass of a neutral carbon-12 (
12 C isotope) atom. For
network solids, the term
formula unit is used in
stoichiometric
Stoichiometry refers to the relationship between the quantities of reactants and products before, during, and following chemical reactions.
Stoichiometry is founded on the law of conservation of mass where the total mass of the reactants equal ...
calculations.
Structural formula
For molecules with a complicated 3-dimensional structure, especially involving atoms bonded to four different substituents, a simple molecular formula or even semi-structural chemical formula may not be enough to completely specify the molecule. In this case, a graphical type of formula called a
structural formula may be needed. Structural formulas may in turn be represented with a one-dimensional chemical name, but such
chemical nomenclature
A chemical nomenclature is a set of rules to generate systematic names for chemical compounds. The nomenclature used most frequently worldwide is the one created and developed by the International Union of Pure and Applied Chemistry (IUPAC).
The ...
requires many words and terms which are not part of chemical formulas.
Molecular geometry
Molecules have fixed
equilibrium geometries—bond lengths and angles— about which they continuously oscillate through vibrational and rotational motions. A pure substance is composed of molecules with the same average geometrical structure. The chemical formula and the structure of a molecule are the two important factors that determine its properties, particularly its
reactivity.
Isomers
In chemistry, isomers are molecules or polyatomic ions with identical molecular formulae – that is, same number of atoms of each element – but distinct arrangements of atoms in space. Isomerism is existence or possibility of isomers. ...
share a chemical formula but normally have very different properties because of their different structures.
Stereoisomers, a particular type of isomer, may have very similar physico-chemical properties and at the same time different
biochemical
Biochemistry or biological chemistry is the study of chemical processes within and relating to living organisms. A sub-discipline of both chemistry and biology, biochemistry may be divided into three fields: structural biology, enzymology and ...
activities.
Molecular spectroscopy
Molecular spectroscopy deals with the response (
spectrum
A spectrum (plural ''spectra'' or ''spectrums'') is a condition that is not limited to a specific set of values but can vary, without gaps, across a continuum. The word was first used scientifically in optics to describe the rainbow of colors ...
) of molecules interacting with probing signals of known
energy (or
frequency, according to
Planck's formula). Molecules have quantized energy levels that can be analyzed by detecting the molecule's energy exchange through
absorbance
Absorbance is defined as "the logarithm of the ratio of incident to transmitted radiant power through a sample (excluding the effects on cell walls)". Alternatively, for samples which scatter light, absorbance may be defined as "the negative lo ...
or
emission.
Spectroscopy does not generally refer to
diffraction
Diffraction is defined as the interference or bending of waves around the corners of an obstacle or through an aperture into the region of geometrical shadow of the obstacle/aperture. The diffracting object or aperture effectively becomes a s ...
studies where particles such as
neutrons, electrons, or high energy
X-ray
An X-ray, or, much less commonly, X-radiation, is a penetrating form of high-energy electromagnetic radiation. Most X-rays have a wavelength ranging from 10 picometers to 10 nanometers, corresponding to frequencies in the range 30  ...
s interact with a regular arrangement of molecules (as in a crystal).
Microwave spectroscopy
Microwave spectroscopy is the spectroscopy method that employs microwaves, i.e. electromagnetic radiation at GHz frequencies, for the study of matter.
History
The ammonia molecule NH3 is shaped like a pyramid 0.38 Å in height, with an equilatera ...
commonly measures changes in the rotation of molecules, and can be used to identify molecules in outer space.
Infrared spectroscopy
Infrared spectroscopy (IR spectroscopy or vibrational spectroscopy) is the measurement of the interaction of infrared radiation with matter by absorption, emission, or reflection. It is used to study and identify chemical substances or function ...
measures the vibration of molecules, including stretching, bending or twisting motions. It is commonly used to identify the kinds of bonds or
functional groups in molecules. Changes in the arrangements of electrons yield absorption or emission lines in ultraviolet, visible or
near infrared
Infrared (IR), sometimes called infrared light, is electromagnetic radiation (EMR) with wavelengths longer than those of visible light. It is therefore invisible to the human eye. IR is generally understood to encompass wavelengths from around ...
light, and result in colour. Nuclear resonance spectroscopy measures the environment of particular nuclei in the molecule, and can be used to characterise the numbers of atoms in different positions in a molecule.
Theoretical aspects
The study of molecules by molecular physics and
theoretical chemistry is largely based on
quantum mechanic
Quantum mechanics is a fundamental theory in physics that provides a description of the physical properties of nature at the scale of atoms and subatomic particles. It is the foundation of all quantum physics including quantum chemistry, qua ...
s and is essential for the understanding of the chemical bond. The simplest of molecules is the
hydrogen molecule-ion
The dihydrogen cation or hydrogen molecular ion is a cation (positive ion) with formula . It consists of two hydrogen nuclei (protons) sharing a single electron. It is the simplest molecular ion.
The ion can be formed from the ionization of a ne ...
, H
2+, and the simplest of all the chemical bonds is the
one-electron bond. H
2+ is composed of two positively charged
protons and one negatively charged
electron, which means that the
Schrödinger equation for the system can be solved more easily due to the lack of electron–electron repulsion. With the development of fast digital computers, approximate solutions for more complicated molecules became possible and are one of the main aspects of
computational chemistry
Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of m ...
.
When trying to define rigorously whether an arrangement of atoms is ''sufficiently stable'' to be considered a molecule, IUPAC suggests that it "must correspond to a depression on the
potential energy surface that is deep enough to confine at least one vibrational state".
This definition does not depend on the nature of the interaction between the atoms, but only on the strength of the interaction. In fact, it includes weakly bound species that would not traditionally be considered molecules, such as the
helium dimer
Dimer may refer to:
* Dimer (chemistry), a chemical structure formed from two similar sub-units
** Protein dimer, a protein quaternary structure
** d-dimer
* Dimer model, an item in statistical mechanics, based on ''domino tiling''
* Julius Dimer ( ...
,
He2, which has one vibrational bound state
and is so loosely bound that it is only likely to be observed at very low temperatures.
Whether or not an arrangement of atoms is ''sufficiently stable'' to be considered a molecule is inherently an operational definition. Philosophically, therefore, a molecule is not a fundamental entity (in contrast, for instance, to an
elementary particle); rather, the concept of a molecule is the chemist's way of making a useful statement about the strengths of atomic-scale interactions in the world that we observe.
See also
*
Atom
*
Chemical polarity
In chemistry, polarity is a separation of electric charge leading to a molecule or its chemical groups having an electric dipole moment, with a negatively charged end and a positively charged end.
Polar molecules must contain one or more pola ...
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Chemical structure
A chemical structure determination includes a chemist's specifying the molecular geometry and, when feasible and necessary, the electronic structure of the target molecule or other solid. Molecular geometry refers to the spatial arrangement of a ...
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Covalent bond
A covalent bond is a chemical bond that involves the sharing of electrons to form electron pairs between atoms. These electron pairs are known as shared pairs or bonding pairs. The stable balance of attractive and repulsive forces between atom ...
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Diatomic molecule
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List of compounds
Compounds are organized into the following lists:
* , compounds without a C–H bond
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See also
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* can form compounds
External links
Relevant links for chemical compounds are:
* The CASbr>Substance DatabasesCo ...
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List of interstellar and circumstellar molecules
This is a list of molecules that have been detected in the interstellar medium and circumstellar envelopes, grouped by the number of component atoms. The chemical formula is listed for each detected compound, along with any ionized form that has a ...
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Molecular biology
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Molecular design software
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Molecular engineering
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Molecular geometry
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Molecular Hamiltonian
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Molecular ion
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Molecular modelling
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Molecular promiscuity
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Molecular orbital
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Non-covalent bonding
In chemistry, a non-covalent interaction differs from a covalent bond in that it does not involve the sharing of electrons, but rather involves more dispersed variations of electromagnetic interactions between molecules or within a molecule. The ...
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Periodic systems of small molecules
Periodic systems of molecules are charts of molecules similar to the periodic table of the elements. Construction of such charts was initiated in the early 20th century and is still ongoing.
It is commonly believed that the periodic law, represen ...
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Small molecule
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Comparison of software for molecular mechanics modeling
This is a list of computer programs that are predominantly used for molecular mechanics calculations.
See also
*Car–Parrinello molecular dynamics
* Comparison of force-field implementations
* Comparison of nucleic acid simulation software ...
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Van der Waals molecule
A Van der Waals molecule is a weakly bound complex of atoms or molecules held together by intermolecular attractions such as Van der Waals forces or by hydrogen bonds.
The name originated in the beginning of the 1970s when stable molecular clust ...
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World Wide Molecular Matrix
The World Wide Molecular Matrix (WWMM) was a proposed electronic repository for unpublished chemical data. First introduced in 2002 by Peter Murray-Rust and his colleagues in the chemistry department at the University of Cambridge in the United K ...
References
External links
Molecule of the MonthSchool of Chemistry, University of Bristol
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