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Selenium—selenium bond order in diselenides. 77 Se– 77 Se and 77 Se– 13 C coupling constants and 77 Se chemical shifts of symmetrical and unsymmetrical diselenides
Author(s) -
Gombler Willy
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.1260290114
Subject(s) - chemistry , selenium , coupling constant , chemical shift , analytical chemistry (journal) , crystallography , organic chemistry , physics , particle physics
77 Se– 77 Se spin‐spin coupling constants of unsymmetrically and, for the first time, of symmetrically substituted diselenides have been measured for CF 3 SeSeCH 3 , CF 3 SeSeCF 3 , CF 3 SeSeCF 2 Cl and CF 2 ClSeSeCF 2 Cl. A correlation of the 1 J (SeSe) values with the average 77 Se shielding is found for perhalomethyl diselenides and organyl diselenides. 77 Se– 13 C coupling constants are also reported for the perhalomethyl diselenides. The coupling constants are much larger than in organyl diselenides. NMR data for the thioselenides CF 3 SeSR (R = CF 3 , CF 2 Cl, CFCl 2 , CCl 3 ) are reported for comparison. It can be concluded that π‐type interactions occur in the SeSe or SeS bonds of diselenides and thioselenides, respectively, containing perhalomethyl groups.