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Molecular Orbital Diagram
A molecular orbital diagram, or MO diagram, is a qualitative descriptive tool explaining chemical bonding in molecules in terms of molecular orbital theory in general and the linear combination of atomic orbitals (LCAO) method in particular. A fundamental principle of these theories is that as atoms bond to form molecules, a certain number of atomic orbitals combine to form the same number of molecular orbitals, although the electrons involved may be redistributed among the orbitals. This tool is very well suited for simple diatomic molecules such as dihydrogen, dioxygen, and carbon monoxide but becomes more complex when discussing even comparatively simple polyatomic molecules, such as methane. MO diagrams can explain why some molecules exist and others do not. They can also predict bond strength, as well as the electronic transitions that can take place. History Qualitative MO theory was introduced in 1928 by Robert S. Mulliken and Friedrich Hund. A mathematical description w ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemical Bonding
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 of electrons as in covalent bonds. The strength of chemical bonds varies considerably; there are "strong bonds" or "primary bonds" such as covalent, ionic and metallic bonds, and "weak bonds" or "secondary bonds" such as dipole–dipole interactions, the London dispersion force and hydrogen bonding. Strong chemical bonding arises from the sharing or transfer of electrons between the participating atoms. Since opposite electric charges attract, the negatively charged electrons surrounding the nucleus and the positively charged protons within a nucleus attract each other. An electron positioned between two nuclei will be attracted to both of them, and the nuclei will be attracted toward electrons in this position. This attraction constitu ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Energy Level
A quantum mechanical system or particle that is bound—that is, confined spatially—can only take on certain discrete values of energy, called energy levels. This contrasts with classical particles, which can have any amount of energy. The term is commonly used for the energy levels of the electrons in atoms, ions, or molecules, which are bound by the electric field of the nucleus, but can also refer to energy levels of nuclei or vibrational or rotational energy levels in molecules. The energy spectrum of a system with such discrete energy levels is said to be quantized. In chemistry and atomic physics, an electron shell, or principal energy level, may be thought of as the orbit of one or more electrons around an atom's nucleus. The closest shell to the nucleus is called the " shell" (also called "K shell"), followed by the " shell" (or "L shell"), then the " shell" (or "M shell"), and so on farther and farther from the nucleus. The shells correspond with the principal qu ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Real-valued Function
In mathematics, a real-valued function is a function whose values are real numbers. In other words, it is a function that assigns a real number to each member of its domain. Real-valued functions of a real variable (commonly called ''real functions'') and real-valued functions of several real variables are the main object of study of calculus and, more generally, real analysis. In particular, many function spaces consist of real-valued functions. Algebraic structure Let (X,) be the set of all functions from a set to real numbers \mathbb R. Because \mathbb R is a field, (X,) may be turned into a vector space and a commutative algebra over the reals with the following operations: *f+g: x \mapsto f(x) + g(x) – vector addition *\mathbf: x \mapsto 0 – additive identity *c f: x \mapsto c f(x),\quad c \in \mathbb R – scalar multiplication *f g: x \mapsto f(x)g(x) – pointwise multiplication These operations extend to partial functions from to \mathbb R, with the ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Phase Factor
For any complex number written in polar form (such as ), the phase factor is the complex exponential factor (). As such, the term "phase factor" is related to the more general term phasor, which may have any magnitude (i.e. not necessarily on the unit circle in the complex plane). The phase factor is a unit complex number, i.e. a complex number of absolute value 1. It is commonly used in quantum mechanics. The variable appearing in such an expression is generally referred to as the phase. Multiplying the equation of a plane wave by a phase factor shifts the phase of the wave by : e^ A\,e^ = A\,e^. In quantum mechanics, a phase factor is a complex coefficient that multiplies a ket , \psi\rangle or bra \langle\phi, . It does not, in itself, have any physical meaning, since the introduction of a phase factor does not change the expectation values of a Hermitian operator. That is, the values of \langle\phi, A , \phi\rangle and \langle\phi, e^ A e^ , \phi\rangle are t ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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. It is one of the main types of bonding along with covalent bonding and metallic bonding. Ions are atoms (or groups of atoms) with an electrostatic charge. Atoms that gain electrons make negatively charged ions (called anions). Atoms that lose electrons make positively charged ions (called cations). This transfer of electrons is known as electrovalence in contrast to covalence. In the simplest case, the cation is a metal atom and the anion is a nonmetal atom, but these ions can be of a more complex nature, e.g. molecular ions like or . In simpler words, an ionic bond results from the transfer of electrons from a metal to a non-metal in order to obtain a full valence shell for both atoms. It is important to recognize that ''clean'' ion ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Electronegativity
Electronegativity, symbolized as , is the tendency for an atom of a given chemical element to attract shared electrons (or electron density) when forming a chemical bond. An atom's electronegativity is affected by both its atomic number and the distance at which its valence electrons reside from the charged nucleus. The higher the associated electronegativity, the more an atom or a substituent group attracts electrons. Electronegativity serves as a simple way to quantitatively estimate the bond energy, and the sign and magnitude of a bond's chemical polarity, which characterizes a bond along the continuous scale from covalent to ionic bonding. The loosely defined term electropositivity is the opposite of electronegativity: it characterizes an element's tendency to donate valence electrons. On the most basic level, electronegativity is determined by factors like the nuclear charge (the more protons an atom has, the more "pull" it will have on electrons) and the number and locat ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Antibonding Molecular Orbital
In chemical bonding theory, 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 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Bonding Molecular Orbital
In theoretical chemistry, the bonding orbital is used in molecular orbital (MO) theory to describe the attractive interactions between the atomic orbitals of two or more atoms in a molecule. In MO theory, electrons are portrayed to move in waves. When more than one of these waves come close together, the in-phase combination of these waves produces an interaction that leads to a species that is greatly stabilized. The result of the waves’ constructive interference causes the density of the electrons to be found within the binding region, creating a stable bond between the two species. Diatomic molecules In the classic example of the H2 MO, the two separate H atoms have identical atomic orbitals. When creating the molecule dihydrogen, the individual valence orbitals, 1''s'', either: merge in phase to get bonding orbitals, where the electron density is in between the nuclei of the atoms; or, merge out of phase to get antibonding orbitals, where the electron density is everyw ... [...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. Pi bonds are usually weaker than sigma bonds. The C-C double bond, composed of one sigma and one pi bond, has a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Sigma Bond
In chemistry, sigma bonds (σ bonds) are the strongest type of covalent chemical bond. They are formed by head-on overlapping between atomic orbitals. Sigma bonding is most simply defined for diatomic molecules using the language and tools of symmetry groups. In this formal approach, a σ-bond is symmetrical with respect to rotation about the bond axis. By this definition, common forms of sigma bonds are s+s, pz+pz, s+pz and dz2+dz2 (where z is defined as the axis of the bond or the internuclear axis). Quantum theory also indicates that molecular orbitals (MO) of identical symmetry actually mix or ''hybridize''. As a practical consequence of this mixing of diatomic molecules, the wavefunctions s+s and pz+pz molecular orbitals become blended. The extent of this mixing (or hybridization or blending) depends on the relative energies of the MOs of like symmetry. For homodiatomics ( homonuclear diatomic molecules), bonding σ orbitals have no nodal planes at which the wavefunction ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Orbital Overlap
In chemical bonds, an orbital overlap is the concentration of orbitals on adjacent atoms in the same regions of space. Orbital overlap can lead to bond formation. Linus Pauling explained the importance of orbital overlap in the molecular bond angles observed through experimentation; it is the basis for orbital hybridization. As ''s'' orbitals are spherical (and have no directionality) and ''p'' orbitals are oriented 90° to each other, a theory was needed to explain why molecules such as methane (CH4) had observed bond angles of 109.5°. Pauling proposed that s and p orbitals on the carbon atom can combine to form hybrids (sp3 in the case of methane) which are directed toward the hydrogen atoms. The carbon hybrid orbitals have greater overlap with the hydrogen orbitals, and can therefore form stronger C–H bonds.Pauling, Linus. (1960). ''The Nature Of The Chemical Bond''. Cornell University Press. A quantitative measure of the overlap of two atomic orbitals ΨA and ΨB o ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
