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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 the association of atoms or ions to form molecules, crystals, and other structures. 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, or some combination of these effects. Chemical bonds are described as having different strengths: 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. Since opposite electric charges attract, the negatively charged electrons surrounding the nucleus and the positively charged protons within a nucleus attract each other. Electrons shared between two nuclei will be attracted to both of them. "Constructive quantum mechanical wavefunction interference" stabilizes the paired nuclei (see Theories of chemical bonding). Bonded nuclei maintain an optimal distance (t ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Vladimir Fock
Vladimir Aleksandrovich Fock (or Fok; ) (December 22, 1898 – December 27, 1974) was a Soviet physicist, who did foundational work on quantum mechanics and quantum electrodynamics. Biography He was born in St. Petersburg, Russia. In 1922 he graduated from Petrograd University, then continued postgraduate studies there. He became a professor there in 1932. In 1919–1923 and 1928–1941 he collaborated with the Vavilov State Optical Institute, in 1924–1936 with the Leningrad Institute of Physics and Technology, in 1934–1941 and 1944–1953 with the Lebedev Physical Institute. Scientific work His primary scientific contribution lies in the development of quantum physics and the theory of gravitation, although he also contributed significantly to the fields of mechanics, theoretical optics, and physics of continuous media. In 1926, he derived the Klein–Gordon equation. He gave his name to Fock space, the Fock representation and Fock st ... [...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 (), where the variable is the ''phase'' of a wave or other periodic function. The phase factor is a unit complex number, i.e. a complex number of absolute value 1. It is commonly used in quantum mechanics and optics. It is a special case of ''phasors'', which may have arbitrary magnitude (i.e. not necessarily on the unit circle in the complex plane). 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, A e^ , \phi\rangle are the same. However, ''differences'' in phas ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Ionic Bond
Ionic bonding is a type of chemical bond A chemical bond is the association of atoms or ions to form molecules, crystals, and other structures. The bond may result from the electrostatic force between oppositely charged ions as in ionic bonds or through the sharing of electrons a ...ing 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 covalent bond, covalence. In the simplest case, the cation is a metal atom and the anion is a Nonmetal (chemistry), nonmetal ... [...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 lo ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Antibonding Molecular Orbital
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 wave ... [...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 Chemical bond, 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 Electron density, 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 ... [...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] |
Sigma Bond
In chemistry, sigma bonds (σ bonds) or sigma overlap are the strongest type of covalent chemical bond. They are formed by head-on overlapping between atomic orbitals along the internuclear axis. 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 orbit ... [...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. The general principle for orbital overlap is that, the greater the overlap between orbitals, the greater the bond strength. 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 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Carbon Dioxide
Carbon dioxide is a chemical compound with the chemical formula . It is made up of molecules that each have one carbon atom covalent bond, covalently double bonded to two oxygen atoms. It is found in a gas state at room temperature and at normally-encountered concentrations it is odorless. As the source of carbon in the carbon cycle, atmospheric is the primary carbon source for life on Earth. In the air, carbon dioxide is transparent to visible light but absorbs infrared, infrared radiation, acting as a greenhouse gas. Carbon dioxide is soluble in water and is found in groundwater, lakes, ice caps, and seawater. It is a trace gas Carbon dioxide in Earth's atmosphere, in Earth's atmosphere at 421 parts per million (ppm), or about 0.042% (as of May 2022) having risen from pre-industrial levels of 280 ppm or about 0.028%. Burning fossil fuels is the main cause of these increased concentrations, which are the primary cause of climate change.IPCC (2022Summary for pol ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
