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One‐Electron Oxidation of 1,2‐Dithiacycloalkanes
Author(s) -
Bock Hans,
Stein Udo
Publication year - 1980
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.198008342
Subject(s) - planarity testing , reagent , sulfur , dithiolane , chemistry , open shell , electron , computational chemistry , crystallography , medicinal chemistry , organic chemistry , physics , quantum mechanics
The energetically favorable stable radical cation (1) is formed in solution by the action of the reagent AlCl 3 /CH 2 Cl 2 on 1,3‐propanedithiol ( via 1,2‐dithiolane) or on 1,2,3‐trithiane. Combination of PE and ESR data as well as INDO‐open shell calculations showed the CSSC group of (1) to have time‐averaged planarity and high spin density at the sulfur centers.