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Electronic Effect
An electric effect influences the structure, reactivity, or properties of a molecule but is neither a traditional bond nor a steric effect. In organic chemistry, the term stereoelectronic effect is also used to emphasize the relation between the electronic structure and the geometry (stereochemistry) of a molecule. The term polar effect is sometimes used to refer to electronic effects, but also may have the more narrow definition of effects resulting from non-conjugated substituents. Types Redistributive effects Induction is the redistribution of electron density through a traditional sigma bonded structure according to the electronegativity of the atoms involved. The inductive effect drops across every sigma bond involved limiting its effect to only a few bonds. Conjugation is a redistribution of electron density similar to induction but transmitted through interconnected pi-bonds. Conjugation is not only affected by electronegativity of the connected atoms but also aff ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemical Structure
A chemical structure of a molecule is a spatial arrangement of its atoms and their chemical bonds. Its 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 atoms in a molecule and the chemical bonds that hold the atoms together and can be represented using structural formulae and by molecular models; complete electronic structure descriptions include specifying the occupation of a molecule's molecular orbitals. Structure determination can be applied to a range of targets from very simple molecules (e.g., diatomic oxygen or nitrogen) to very complex ones (e.g., such as protein or DNA). Background Theories of chemical structure were first developed by August Kekulé, Archibald Scott Couper, and Aleksandr Butlerov, among others, from about 1858. These theories were first to state that chemical compounds are not a ran ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Carbocation
Carbocation is a general term for ions with a positively charged carbon atom. In the present-day definition given by the IUPAC, a carbocation is any even-electron cation with significant partial positive charge on a carbon atom. They are further classified in two main categories according to the coordination number of the charged carbon: three in the carbenium ions and five in the carbonium ions. Among the simplest carbocations are the methenium (a carbenium ion), methanium (a carbonium ion), acylium ions , and Vinyl cation, vinyl cations. Until the early 1970s, carbocations were called ''carbonium ions''. This nomenclature was proposed by George Andrew Olah, G. A. Olah. Carbonium ions, as originally defined by Olah, are characterized by a Three-center two-electron bond, three-center two-electron delocalized bonding scheme and are essentially synonymous with so-called 'non-classical carbocations', which are carbocations that contain bridging C–C or C–H σ-bonds. However ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Orbital Symmetry
In chemistry, molecular symmetry describes the symmetry present in molecules and the classification of these molecules according to their symmetry. Molecular symmetry is a fundamental concept in chemistry, as it can be used to predict or explain many of a molecule's chemical properties, such as whether or not it has a dipole moment, as well as its allowed spectroscopic transitions. To do this it is necessary to use group theory. This involves classifying the states of the molecule using the irreducible representations from the character table of the symmetry group of the molecule. Symmetry is useful in the study of molecular orbitals, with applications to the Hückel method, to ligand field theory, and to the Woodward–Hoffmann rules. Many university level textbooks on physical chemistry, quantum chemistry, spectroscopy and inorganic chemistry discuss symmetry. Another framework on a larger scale is the use of crystal systems to describe crystallographic symmetry in bulk ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Anomeric Effect
In organic chemistry, the anomeric effect or Edward-Lemieux effect (after J. T. Edward and Raymond Lemieux) is a stereoelectronic effect that describes the tendency of heteroatomic substituents adjacent to the heteroatom in the ring in, e.g., tetrahydropyran to prefer the ''axial'' orientation instead of the less-hindered ''equatorial'' orientation that would be expected from steric considerations. This effect was originally observed in pyranose rings by J. T. Edward in 1955 when studying carbohydrate chemistry. The term ''anomeric effect'' was introduced in 1958. The name comes from the term used to designate the lowest-numbered ring carbon of a pyranose, the ''anomeric'' carbon. Isomers that differ only in the configuration at the anomeric carbon are called ''anomers''. The anomers of D-glucopyranose are diastereomers, with the ''beta'' anomer having a hydroxyl () group pointing up equatorially, and the ''alpha'' anomer having that () group pointing down axially. The anomer ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Gauche Effect
In the study of conformational isomerism, the gauche effect is an atypical situation where a gauche conformation (groups separated by a torsion angle of approximately 60°) is more stable than the anti conformation (180°).''Contribution to the Study of the Gauche Effect. The Complete Structure of the Anti Rotamer of 1,2-Difluoroethane''. Norman C. Craig, Anthony Chen, Ki Hwan Suh, Stefan Klee, Georg C. Mellau, Brenda P. Winnewisser, and Manfred Winnewisser, J. Am. Chem. Soc.; 1997; 119(20) pp. 4789–4790; (Communication) . There are both steric effects, steric and electronic effects that affect the relative stability of conformers. Ordinarily, steric effects predominate to place large substituents far from each other. However, this is not the case for certain substituents, typically those that are highly electronegative. Instead, there is an electronic preference for these groups to be gauche. Typically studied examples include 1,2-difluoroethane (H2FCCFH2), ethylene glyc ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Orbital
In chemistry, a molecular orbital is a mathematical function describing the location and wave-like behavior of an electron in a molecule. This function can be used to calculate chemical and physical properties such as the probability of finding an electron in any specific region. The terms ''atomic orbital'' and ''molecular orbital'' were introduced by Robert S. Mulliken in 1932 to mean ''one-electron orbital wave functions''. At an elementary level, they are used to describe the ''region'' of space in which a function has a significant amplitude. In an isolated atom, the orbital electrons' location is determined by functions called atomic orbitals. When multiple atoms combine chemically into a molecule by forming a valence chemical bond, the electrons' locations are determined by the molecule as a whole, so the atomic orbitals combine to form molecular orbitals. The electrons from the constituent atoms occupy the molecular orbitals. Mathematically, molecular orbitals are an ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Pi Bond
In chemistry, pi bonds (π bonds) are covalent chemical bonds, in each of which two lobes of an orbital on one atom overlap with two lobes of an orbital on another atom, and in which this overlap occurs laterally. Each of these atomic orbitals has an electron density of zero at a shared nodal plane that passes through the two bonded nuclei. This plane also is a nodal plane for the molecular orbital of the pi bond. Pi bonds can form in double and triple bonds but do not form in single bonds in most cases. The Greek letter π in their name refers to p orbitals, since the orbital symmetry of the pi bond is the same as that of the p orbital when seen down the bond axis. One common form of this sort of bonding involves p orbitals themselves, though d orbitals also engage in pi bonding. This latter mode forms part of the basis for metal-metal multiple bonding. Properties Pi bonds are usually weaker than sigma bonds. The C–C double bond, composed of one sigma and o ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Antibonding
In theoretical chemistry, an antibonding orbital is a type of molecular orbital that weakens the chemical bond between two atoms and helps to raise the energy of the molecule relative to the separated atoms. Such an orbital has one or more nodes in the bonding region between the nuclei. The density of the electrons in the orbital is concentrated outside the bonding region and acts to pull one nucleus away from the other and tends to cause mutual repulsion between the two atoms. This is in contrast to a bonding molecular orbital, which has a lower energy than that of the separate atoms, and is responsible for chemical bonds. Diatomic molecules Antibonding molecular orbitals (MOs) are normally ''higher'' in energy than bonding molecular orbitals. Bonding and antibonding orbitals form when atoms combine into molecules. If two hydrogen atoms are initially far apart, they have identical atomic orbitals. However, as the spacing between the two atoms becomes smaller, the electron w ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
P-orbital
In quantum mechanics, an atomic orbital () is a function describing the location and wave-like behavior of an electron in an atom. This function describes an electron's charge distribution around the atom's nucleus, and can be used to calculate the probability of finding an electron in a specific region around the nucleus. Each orbital in an atom is characterized by a set of values of three quantum numbers , , and , which respectively correspond to electron's energy, its orbital angular momentum, and its orbital angular momentum projected along a chosen axis ( magnetic quantum number). The orbitals with a well-defined magnetic quantum number are generally complex-valued. Real-valued orbitals can be formed as linear combinations of and orbitals, and are often labeled using associated harmonic polynomials (e.g., ''xy'', ) which describe their angular structure. An orbital can be occupied by a maximum of two electrons, each with its own projection of spin m_s. The simp ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Electron
The electron (, or in nuclear reactions) is a subatomic particle with a negative one elementary charge, elementary electric charge. It is a fundamental particle that comprises the ordinary matter that makes up the universe, along with up quark, up and down quark, down quarks. Electrons are extremely lightweight particles that orbit the positively charged atomic nucleus, nucleus of atoms. Their negative charge is balanced by the positive charge of protons in the nucleus, giving atoms their overall electric charge#Charge neutrality, neutral charge. Ordinary matter is composed of atoms, each consisting of a positively charged nucleus surrounded by a number of orbiting electrons equal to the number of protons. The configuration and energy levels of these orbiting electrons determine the chemical properties of an atom. Electrons are bound to the nucleus to different degrees. The outermost or valence electron, valence electrons are the least tightly bound and are responsible for th ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Hyperconjugation
In organic chemistry, hyperconjugation (σ-conjugation or no-bond resonance) refers to the delocalization of electrons with the participation of bonds of primarily σ-character. Usually, hyperconjugation involves the interaction of the electrons in a sigma (σ) orbital (e.g. C–H or C–C) with an adjacent unpopulated non-bonding p or antibonding σ* or π* orbitals to give a pair of extended molecular orbitals. However, sometimes, low-lying antibonding σ* orbitals may also interact with filled orbitals of lone pair character (n) in what is termed '' negative hyperconjugation''. Increased electron delocalization associated with hyperconjugation increases the stability of the system. In particular, the new orbital with bonding character is stabilized, resulting in an overall stabilization of the molecule. Only electrons in bonds that are in the β position can have this sort of direct stabilizing effect — donating from a sigma bond on an atom to an orbital in another ato ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Deactivating Group
In electrophilic aromatic substitution reactions, existing substituent groups on the aromatic ring influence the overall reaction rate or have a directing group, directing effect on positional isomer of the product (chemistry), products that are formed. An electron donating group (EDG) or electron releasing group (ERG, Z in structural formulas) is an atom or functional group that donates some of its electron density into a conjugated system, conjugated π system via resonance (chemistry), resonance (mesomerism) or inductive effects (or induction)—called +M or +I effects, respectively—thus making the π system more nucleophile, nucleophilic. As a result of these electronic effects, an aromatic ring to which such a group is attached is more likely to participate in electrophilic substitution reaction. EDGs are therefore often known as activating groups, though steric effects can interfere with the reaction. An electron withdrawing group (EWG) will have the opposite effect on t ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
