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Theoretical study of hexaphosphabenzene and its valence isomers. Is cyclic P6 stable?

✍ Scribed by Shigeru Nagase; Keiji Ito

Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
423 KB
Volume
126
Category
Article
ISSN
0009-2614

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✦ Synopsis

Ab initio calculations show that the cyclic aromatic structure (hexaphosphabenzene) is a minimum on the Ps potential energy surface, and is kinetically stable to its unimolecular destruction. In contrast to the N, analogue, hexaphosphabenzene lies very close in energy to its valence Ps isomers. This interesting difference between Ps and N, is analyzed in terms of energy components.

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