Die hypothetischen Phosphor–Cluster P 6  und P 8  – welche Isomeren wären die stabilsten? | Zendy

Janoschek Rudolf | Zendy

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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 .

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