Substituent Effects on Folding in Cyclotetraphosphane | Zendy

Schoeller Wolfgang W. | Zendy; Busch Thilo | Zendy

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Substituent Effects on Folding in Cyclotetraphosphane

Author(s) -

Schoeller Wolfgang W.,

Busch Thilo

Publication year - 1991

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.19911240610

Subject(s) - chemistry , substituent , folding (dsp implementation) , ab initio , quantum chemical , hypersurface , ring (chemistry) , computational chemistry , ab initio quantum chemistry methods , quantum , crystallography , stereochemistry , molecule , quantum mechanics , organic chemistry , pure mathematics , physics , mathematics , electrical engineering , engineering

Ab initio quantum chemical calculations evidence a very flat potential hypersurface for folding of parent cyclotetraphosphane. This is in accord with a corresponding vibrational analysis. Electronegative substituents increase folding of the fourmembered ring system.

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