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The structure of 1,2‐dithioles studied by 13 C n.m.r. spectroscopy
Author(s) -
Frandsen Erik G.,
Jacobsen Jens P.
Publication year - 1977
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270100112
Subject(s) - ring (chemistry) , spectroscopy , chemistry , dihydropyran , charge (physics) , pyran , crystallography , oxygen atom , analytical chemistry (journal) , stereochemistry , molecule , physics , organic chemistry , quantum mechanics , catalysis
The charge separation between the dithiole ring and oxygen in 3‐(1′,2′‐dithiole‐3′‐ylidene)‐6‐methyl‐2,3‐dihydropyran‐2,4‐diones and 3‐(1′,2′‐dithiole‐3′‐ylidene)‐2,3‐dihydrobenzo[ b ] pyran‐2,4‐diones has been determined by 13 C and 19 F n.m.r. spectroscopy. By both methods it is found that these compounds are relatively polar. A correlation is established between the 13 C chemical shift of some carbon atoms and the S2p binding energies measured by e.s.c.a. in the 1,2‐dithiole derivatives. This correlation shows that these 13 C shifts depend on the positive charge taken by the 1,2‐dithiole ring and can then constitute a convenient evaluation of this charge.