The Fluctional Behaviour of the P7 Trianion - A Molecular Orbital Study
نویسندگان
چکیده
MINDO/3 Calculations, Valence Isomerization The degenerate rearrangement of P? 3 has been studied by means of the MINDO/3 method. The calculated enthalpy of activation (A H + = 59.12 kJ/mol) is in good agreement with results from 31P NMR studies at different temperatures. The bond switching process starts with a bond rupture leading to a transition state with C2v symmetry. Possible rearrangements in PßS2and PßCH2 are discussed.
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