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H2 1sσ* 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.[1][2] 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.
^Atkins P. and de Paula J. Atkins Physical Chemistry. 8th ed. (W.H. Freeman 2006), p.371 ISBN 0-7167-8759-8
^Miessler G.L. and Tarr D.A., Inorganic Chemistry 2nd ed. (Prentice-Hall 1999), p.111 ISBN 0-13-841891-8
and 24 Related for: Antibonding molecular orbital information
In theoretical chemistry, an antibondingorbital is a type of molecularorbital that weakens the chemical bond between two atoms and helps to raise the...
and antibondingmolecularorbitals. A pair of electrons in a bonding orbital creates a bond, whereas a pair of electrons in an antibondingorbital negates...
In chemistry, molecularorbital theory (MO theory or MOT) is a method for describing the electronic structure of molecules using quantum mechanics. It...
orbital is seldom used), π* (pi antibonding), and σ* (sigma antibonding). (Woodward and Hoffmann use ω for nonbonding orbitals in general, occupied or unoccupied...
The p-orbitals oriented in the z-direction (pz) can overlap end-on forming a bonding (symmetrical) σ orbital and an antibonding σ* molecularorbital. In...
go to the antibondingorbital. The instability of the antibondingorbital cancels out the stabilizing effect provided by the bonding orbital; therefore...
atoms or passing through the bonded atoms. The corresponding antibonding, or σ* orbital, is defined by the presence of one nodal plane between the two...
bond orbital or NBO is a calculated bonding orbital with maximum electron density. The NBOs are one of a sequence of natural localized orbital sets that...
In chemistry, orbital hybridisation (or hybridization) is the concept of mixing atomic orbitals to form new hybrid orbitals (with different energies,...
In chemistry, frontier molecularorbital theory is an application of molecularorbital theory describing HOMO–LUMO interactions. In 1952, Kenichi Fukui...
Likewise, promotion of an electron from a pi-bonding orbital (π) to an antibonding pi orbital (π*) is denoted as a π → π* transition. Auxochromes with...
difference between the numbers of electron pairs in bonding and antibondingmolecularorbitals. Bond order gives a rough indication of the stability of a bond...
σ bonding to a σ antibondingorbital, from a π bonding to a π antibondingorbital, or from an n non-bonding to a π antibondingorbital. Reverse electron...
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...
the trans configuration. For maximum overlap of the C–Br σ* antibondingmolecularorbital (the LUMO, shown to the right in red) and the nucleophile (X−)...
spin-parallel, which accounts for the paramagnetism of molecular oxygen. These half-filled orbitals are antibonding in character, reducing the overall bond order...
two non-bonding orbitals, orbital mixing can be further performed between the 2p (3a1) orbital on oxygen and the antibonding 4a1 orbital since they are...
chemically intuitive orbital picture as opposed to the commonly used large and diffuse basis sets for the construction of more complex molecular wavefunctions...
properties. When atomic orbitals overlap during metallic or covalent bonding, they create both bonding and antibondingmolecularorbitals of equal capacity...
metal–carbonyls, electrons are partially transferred from a d-orbital of the metal to antibondingmolecularorbitals of the alkenes and alkynes. This electron transfer...
facilitates the assignment of peaks to bonding, nonbonding or antibondingmolecularorbitals. The method was later extended to the study of solid surfaces...
filled bonding-empty antibonding, 2-electron 2-orbital) interaction. The donor is usually a higher bonding or nonbonding orbital and the acceptor is often...
occupancy of oxygen's two antibonding πg-orbitals, which are degenerate (equal in energy). These two orbitals are classified as antibonding and are of higher...
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