ESR STUDIES ON CARBOXYLIC ESTERS .13. ELECTRON-SPIN-RESONANCE SPECTROSCOPY AND MOLECULAR-ORBITAL CALCULATIONS ON THE RADICAL-ANIONS OF 2-OXO-CARBOTHIOATE AND 2-OXO-CARBODITHIOATE ESTERS

Authors
GASSMANN J GUNTHER H OSTERNACK K SAWLUK A THIMM K VOSS J
Citation
J. Gassmann et al., ESR STUDIES ON CARBOXYLIC ESTERS .13. ELECTRON-SPIN-RESONANCE SPECTROSCOPY AND MOLECULAR-ORBITAL CALCULATIONS ON THE RADICAL-ANIONS OF 2-OXO-CARBOTHIOATE AND 2-OXO-CARBODITHIOATE ESTERS, Magnetic resonance in chemistry, 32(10), 1994, pp. 624-630
Citations number
38
Categorie Soggetti
Spectroscopy,Chemistry
Journal title
Magnetic resonance in chemistry → ACNP
ISSN journal
07491581
Volume
32
Issue
10
Year of publication
1994
Pages
624 - 630
Database
ISI
SICI code
0749-1581(1994)32:10<624:ESOCE.>2.0.ZU;2-T
Abstract
Radical anions of alkyl alpha-oxocarbothioates and alpha-oxocarbodithi oates are generated by in situ electroreduction. Their spin density di stribution and configuration are discussed in terms of the ESR spectra and semi-empirical (McLachlan-type and AM1) MO calculations.