Molecular fragmentations: Part XIII. The structures and energies of mass spectral fragments derived from phosphine-3, diphosphine-4, diphosphine-2 and triphosphine-5

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Structures and energies have been calculated, in the MNDO approximation, for PH 3, P 2H 4 P 2H 2 and P 3H 5 for their molecular cations, for all the ions in their mass spectra, and for the corresponding neutral mass spectral fragments. With the exception of the conformation of P 2H 4, which is calculated to be anti rather than gauche, the calculated structures and energies are in good agreement with those found experimentally, where these are known. Appearance potentials have been calculated, and allow deductions to be made concerning fragmentation pathways.