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Relative stabilities of the asymmetric OPOP, symmetric OPPO and cyclic conformations of P2O2

✍ Scribed by Pablo J. Bruna; Max Mühlhäuser; Sigrid D. Peyerimhoff

Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
514 KB
Volume
180
Category
Article
ISSN
0009-2614

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✦ Synopsis

Various P201 planar isomers are investigated by molecular orbital calculations. Cyclic OPOP ('A,) is predicted to be more stable than OPOP ('A"cis) and OPPO ('A&am) by 5.6 and 23.1 kcal/mol, respectively. The dimerization energy of ZPO+cyclic OPOP lies around 55 kcal/mol; the asymmetrical conforma&ions OPOP and symmetrical OPPO are also bound. The computed vibrational frequencies and corresponding absorption intensities (derived at the SCF level) should help future experimental characterizations of these PzOz isomers.

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