SCF and Moiler-Plesset calculations have been carried out for systems containing P-S and P-N pn-pn bonds: namely, the 1,3,2-dithiaphospholium cation, the 1,3,2-diazaphospholium cation, and the 1,3,2-azathiaphospholium cation. The computed geometries are reported, along with Mulliken atomic charges and selected vibrational frequencies. A@ values for heterolytic P-H bond dissociation and for isodesmic bond separation reactions provide information on the energetics and stabilization of the P-S and P-N pn-pn bonds.

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