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For this molecule, carbon sp 2 hybridises, because one π (pi) bond is required for the double bond between the carbons and only three σ bonds are formed per carbon atom. In sp 2 hybridisation the 2s orbital is mixed with only two of the three available 2p orbitals, usually denoted 2p x and 2p y. The third 2p orbital (2p z) remains unhybridised.
MO diagrams with energy values can be obtained mathematically using the Hartree–Fock method. The starting point for any MO diagram is a predefined molecular geometry for the molecule in question. An exact relationship between geometry and orbital energies is given in Walsh diagrams.
[4] [5] Bent's rule can be justified through the relative energy levels of s and p orbitals. Bent's rule represents a modification of VSEPR theory for molecules of lower than ideal symmetry. [6] For bonds with the larger atoms from the lower periods, trends in orbital hybridization depend strongly on both electronegativity and orbital size.
The qualitative approach of MO analysis uses a molecular orbital diagram to visualize bonding interactions in a molecule. In this type of diagram, the molecular orbitals are represented by horizontal lines; the higher a line the higher the energy of the orbital, and degenerate orbitals are placed on the same level with a space between them.
In organic chemistry, planar, three-connected carbon centers that are trigonal planar are often described as having sp 2 hybridization. [2] [3] Nitrogen inversion is the distortion of pyramidal amines through a transition state that is trigonal planar. Pyramidalization is a distortion of this molecular shape towards a tetrahedral molecular ...
In fact, the carbon atoms in the single bond need not be of the same hybridization. Carbon atoms can also form double bonds in compounds called alkenes or triple bonds in compounds called alkynes. A double bond is formed with an sp 2-hybridized orbital and a p-orbital that is not involved in the hybridization. A triple bond is formed with an sp ...
Planarity results from the sp 2-hybridization of the mutually double-bonded carbon and the nitrogen atoms. The C=N distance is 1.29–1.31 Å for nonconjugated imines and 1.35 Å for conjugated imines. By contrast, C−N distances in amines and nitriles are 1.47 and 1.16 Å respectively. [4]
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.