A Conformational Study of Some Secondary 2-Furanecarbothioamides

Autor: Teresa M. Dziembowska, Tadeusz S. Jagodziński, Barbara Szczodrowska
Rok vydání: 2010
Předmět:
Zdroj: Bulletin des Sociétés Chimiques Belges. 98:327-338
ISSN: 0037-9646
DOI: 10.1002/bscb.19890980507
Popis: Analysis of the UV, IR and 1H-NMR spectra and of the dipole moments indicated nonplanarity of the secondary thioamides derived from 2-furanecarboxylic acid and a free rotation of the thioamide group around the C-C bond. Quantum-mechanical calculations of the s-cis ⇆ s-trans conformational equilibrium and of the dipole moments were carried out by the CNDO/2 method for the N-methylthioamides of 2-furane- and 2-thiophenecarboxylic acid.
Databáze: OpenAIRE