Analysis of unusual  13 C 77 Se couplings in the  13 C NMR spectra of selenoimidates | Zendy

Contreras R. H. | Zendy; de Azúa M. C. Ruíz | Zendy; Giribet C. G. | Zendy

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Analysis of unusual 13 C 77 Se couplings in the 13 C NMR spectra of selenoimidates

Author(s) -

Contreras R. H.,

de Azúa M. C. Ruíz,

Giribet C. G.

Publication year - 1986

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.1260240809

Subject(s) - chemistry , fermi contact interaction , steric effects , coupling constant , spectral line , coupling (piping) , nmr spectra database , spin (aerodynamics) , j coupling , electron , crystallography , nuclear magnetic resonance spectroscopy , atomic physics , stereochemistry , physics , nuclear physics , quantum mechanics , mechanical engineering , engineering , thermodynamics

The difference between cis and trans 13 C 77 Se couplings reported recently for selenoimidates is analyzed using the IPPP‐INDO method, which allows a study of the stereochemical behaviour of differently transmitted components of electron‐mediated spin‐spin coupling constants. It is concluded that a large through‐space transmission of the Fermi contact term takes place for the cis 13 C 77 Se coupling via an Se‐electron‐pair…HC bond coupling pathway. The influence of the steric compression of the Se‐electron pairs on the one‐bond 13 C 77 Se couplings is also discussed.

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