ChemInform Abstract: Relative Stability of the Planar and Butterfly-Like Structures of Cyclic P2O2.
Abstract
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ChemInform Abstract
As revealed from ab initio calculations using multiconfiguration SCF and multireference configuration interaction methods, the planar OPOP ring conformation of P2O2 detected by Bruna, et al (1991) is approximately 20-25 kcal/mol more stable than the bicyclic P-P-bonded butterfly-like structure postulated by Lohr (1992). Since both conformations represent true minima on the potential energy surface of cyclic P2O2 and the transition from one to the other is symmetry forbidden, the isolation of P2O2 in its C2v structure might be possible
