However, doing so would probably cause the molecule to decompose, as the electrons would enter N-H ? * antibonding molecular orbitals and either break two or weaken four N-H bonds.
2.
Where \ Psi and \ Psi ^ * are the molecular wavefunctions for the bonding and antibonding molecular orbitals, respectively, \ psi _ a and \ psi _ b are the atomic wavefunctions from atoms a and b, respectively, and c _ a and c _ b are adjustable coefficients.
3.
For maximum overlap of the C Br ? * antibonding molecular orbital ( the LUMO, shown to the right in red ) and the nucleophile ( X " ) lone pair ( the HOMO, shown to the right below in green ), X " must attack the bromonium ion from behind, at carbon.
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