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Die hypothetischen Phosphor–Cluster P 6 und P 8 – welche Isomeren wären die stabilsten?
Author(s) -
Janoschek Rudolf
Publication year - 1992
Publication title -
chemische berichte
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 0009-2940
DOI - 10.1002/cber.19921251211
Subject(s) - chemistry , cluster (spacecraft) , phosphorus , phosphor , ab initio , crystallography , organic chemistry , physics , optoelectronics , computer science , programming language
The Hypothetic Phosphorus Clusters P 6 and P 8 – Which Isomers Would Be the Most Stable Ones? The hexaphosphabenzvalene 3 turned out to be the most stable P 6 isomer applying ab initio MP4(SDQ)/CEP–DZ * calculations, and therefore plays a favorite role for synthesis. The cubic P 8 is replaced by a polycyclic structure 8 which is more stable by 49 kcal mol ‐1 , but still thermodynamically unstable with respect to 2 P 4 .