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Localized molecular orbitals are molecular orbitals which are concentrated in a limited spatial region of a molecule, such as a specific bond or lone pair on a specific atom. They can be used to relate molecular orbital calculations to simple bonding theories, and also to speed up post-Hartree–Fock electronic structure calculations by taking ...
The σ-symmetry lone pair (σ(out)) is formed from a hybrid orbital that mixes 2s and 2p character, while the π-symmetry lone pair (p) is of exclusive 2p orbital parentage. The s character rich O σ(out) lone pair orbital (also notated n O (σ) ) is an ~sp 0.7 hybrid (~40% p character, 60% s character), while the p lone pair orbital (also ...
A carbon–nitrogen bond is a covalent bond between carbon and nitrogen and is one of the most abundant bonds in organic chemistry and biochemistry. [1]Nitrogen has five valence electrons and in simple amines it is trivalent, with the two remaining electrons forming a lone pair.
They can form a chemical bond between two atoms, or they can occur as a lone pair of valence electrons. They also fill the core levels of an atom. Because the spins are paired, the magnetic moment of the electrons cancel one another, and the pair's contribution to magnetic properties is generally diamagnetic .
For example, NH 3 is a Lewis base, because it can donate its lone pair of electrons. Trimethylborane [(CH 3 ) 3 B] is a Lewis acid as it is capable of accepting a lone pair. In a Lewis adduct, the Lewis acid and base share an electron pair furnished by the Lewis base, forming a dative bond. [ 1 ]
In organic chemistry, neighbouring group participation (NGP, also known as anchimeric assistance) has been defined by the International Union of Pure and Applied Chemistry (IUPAC) as the interaction of a reaction centre with a lone pair of electrons in an atom or the electrons present in a sigma or pi bond contained within the parent molecule but not conjugated with the reaction centre.
There are several variants of bending, where the most common is AX 2 E 2 where two covalent bonds and two lone pairs of the central atom (A) form a complete 8-electron shell. They have central angles from 104° to 109.5°, where the latter is consistent with a simplistic theory which predicts the tetrahedral symmetry of four sp 3 hybridised ...
According to VSEPR theory, T-shaped geometry results when three ligands and two lone pairs of electrons are bonded to the central atom, written in AXE notation as AX 3 E 2. The T-shaped geometry is related to the trigonal bipyramidal molecular geometry for AX 5 molecules with three equatorial and two axial ligands.