The results of ab initio and semi-empirical SCF-MO calculations of the electronic structure of P4 and N4 are presented and the observed stability of P4 and presumed instability of N4 discussed. The SCF-MOs are transformed to localized orbitals allowing a discussion of the bent bonds in these molecules. The ionization potentials of P4, measured by photoelectron spectroscopy are interpreted with the aid of the SCF-MO calculations.
M. F. Guest, I. H. Hillier and V. R. Saunders, J. Chem. Soc., Faraday Trans. 2, 1972, 68, 2070 DOI: 10.1039/F29726802070
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