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Selenium‐77 NMR chemical shifts of five‐membered selenium and sulphur heterocycles with CSe, CS, and CO groups
Author(s) -
Poleschner Helmut,
Radeglia Reiner,
Meyer Hinrich
Publication year - 1984
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.1270220803
Subject(s) - chemical shift , selenium , chemistry , sulfur , carbon 13 nmr , ring (chemistry) , stereochemistry , crystallography , organic chemistry
This paper reports the 77 Se NMR chemical shifts of 1,3‐dithiole‐, 1,3‐thiaselenole‐ and 1,3‐diselenole‐2‐ones, ‐thiones and ‐selones, of the corresponding saturated compounds 1,3‐diselenolane‐2‐one, ‐thione and ‐selone, and the 1,3‐thiaselenolium tetrafluoroborates, either unsubstituted or substituted by morpholino, ethylthio or ethylseleno groups in the 2‐position. The 77 Se chemical shift values of the ring selenium and the CSe groups are compared with the 13 C chemical shift values of neighbouring carbon atoms. The relationships between the 77 Se chemical shifts of the CSe groups and the wavelengths of their n→* absorption in the UV‐visible spectrum are discussed with respect to the significance of the δE term in the contribution of the paramagnetic screening and the electron density distribution.