4- and 4,5-substituted N-methoxythiazole-2(3H)-thiones - Preparation, UV/Vis spectra, and assignment of electronic transitions in comparison to N-methoxypyridine-2(1H)-thione using time-dependent density functional theory calculations

European Journal of Organic Chemistry

Volumn , Issue 5, 2005, Pages 869-881

  Hartung, Jens ^a   Špehar, Kristina ^b   Svoboda, Ingrid ^b   Fuess, Hartmut ^b   Arnone, Mario ^c   Engels, Bernd ^c  

^a Rheinland Pfälzische Technische Universität Kaiserslautern Landau   (Germany)

^b DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

^c UNIVERSITY OF WÜRZBURG   (Germany)

Author keywords

Alkoxyl radical precursor; Pyridinethione; Thiazolethione; Thiocarbonyl chromophore; Time dependent density functional theory

Indexed keywords

N METHOXY 4 METHYLTHIAZOLE 2(3H) THIONE; N METHOXY 5 (4 METHOXYPHENYL) 4 METHYLTHIAZOLE 2(3H) THIONE; N METHOXYPYRIDINE 2(1H) THIONE; N METHOXYTHIAZOLE 2(3H) THIONE; PYRITHIONE; RADICAL; SULFUR; THIAZOLE DERIVATIVE; THIOKETONE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY; PREDICTION; REACTION ANALYSIS; STRUCTURE ANALYSIS; SYNTHESIS; TIME; ULTRAVIOLET SPECTROSCOPY; X RAY CRYSTALLOGRAPHY;

EID: 15044343711     PISSN: 1434193X     EISSN: None     Source Type: Journal    
DOI: 10.1002/ejoc.200400674     Document Type: Article

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