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Photoelectron spectroscopy of biologically active molecules. 21. Thiooxamides
Author(s) -
Klasinc L.,
McGlynn S. P.
Publication year - 1990
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560382479
Subject(s) - x ray photoelectron spectroscopy , molecule , chemistry , ultraviolet photoelectron spectroscopy , spectroscopy , nuclear magnetic resonance , physics , organic chemistry , quantum mechanics
The HeI photoelectron ( PE ) spectra of N o , N o ‐dimethyl‐monothiooxamide ( 1 ,) its analogue N s , N s ‐dimethylmonothiooxamide ( 2 ), dithiooxamide ( 3 ), N,N ′‐dimethyldithiooxamide ( 4 ), and N,N,N ′, N ′‐tetramethyldithiooxamide ( 5 ) are presented. The results of CNDO /2 calculations, the PE spectra of the related compounds acetamide, thioacetamide, thiourea, and their methyl derivatives, and HeI/HeII intensity considerations are used to assign the spectra.