Nuclear Quadrupole Resonance in Solid Diazines

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Abstract
Nitrogen−14 nuclear quadrupole resonance data are reported for pyridazine, pyrazine, and pyrimidine. The spectra are analyzed assuming sp2 hybridization of the nitrogen σ bonding and lone‐pair orbitals. Coupling constants and asymmetry parameters are interpreted in terms of electron densities in σ and π orbitals and compared with values for pyridine. Evidence is presented indicating significant polarization of the σ bonds and strong localization of the lone‐pair electrons. Good agreement is found with LCAO MO calculations of π‐charge densities.

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