Premium
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.