Large CC spin–spin coupling constants across double bonds. Validity of the multiplicative approach | Zendy

KamieńskaTrela Krystyna | Zendy; Biedrzycka Zenobia | Zendy; Da̧browski Andrzej | Zendy

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Large CC spin–spin coupling constants across double bonds. Validity of the multiplicative approach

Author(s) -

KamieńskaTrela Krystyna,

Biedrzycka Zenobia,

Da̧browski Andrzej

Publication year - 1991

Publication title -

magnetic resonance in chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.483

H-Index - 72

eISSN - 1097-458X

pISSN - 0749-1581

DOI - 10.1002/mrc.1260291210

Subject(s) - chemistry , coupling constant , multiplicative function , trimethylsilyl , spin (aerodynamics) , range (aeronautics) , coupling (piping) , analytical chemistry (journal) , computational chemistry , molecular physics , thermodynamics , quantum mechanics , mathematical analysis , organic chemistry , physics , mathematics , engineering , composite material , mechanical engineering , materials science

13 C 13 C spin–spin coupling constants have been measured for a series of variously substituted ethenes. The largest 1 J (CC) value, 172 Hz, was found in chlorotrifluoroethene and the smallest, 45.3 Hz, in tris(trimethylsilyl)ethene, which covers a range of 127 Hz for the 1 J(CC) values. An analysis of the data revealed a large discrepancy between the experimental 1 J values and those estimated by the commonly used additive increment scheme. Good agreement was found, however, between the experimental values and those calculated by means of a multiplicative scheme.

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