Theoretical modelling for the ground state rotamerisation and excited state intramolecular proton transfer of 2-(2′-hydroxyphenyl)oxazole, 2-(2′-hydroxyphenyl)imidazole, 2-(2′-hydroxyphenyl)thiazole and their benzo analogues

International Journal of Molecular Sciences

Volumn 4, Issue 6, 2003, Pages 335-361

  Purkayastha, Pradipta ^a,b   Chattopadhyay, Nitin ^a  

^a JADAVPUR UNIVERSITY   (India)

^b UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

AM1; Excited state intramolecular proton transfer; Oxazole, imidazole; Rotamerization; Tautomer; Thiazole

Indexed keywords

2 (2' HYDROXYPHENYL)BENZIMIDAZOLE; 2 (2' HYDROXYPHENYL)BENZOTHIAZOLE; 2 (2' HYDROXYPHENYL)BENZOXAZOLE; 2 (2' HYDROXYPHENYL)IMIDAZOLE; 2 (2' HYDROXYPHENYL)OXAZOLE; 2 (2' HYDROXYPHENYL)THIAZOLE; BENZOXAZOLE DERIVATIVE; IMIDAZOLE DERIVATIVE; OXAZOLE DERIVATIVE; PYRROLE DERIVATIVE; THIAZOLE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; ISOMER; ISOMERISM; KINETICS; MOLECULE; POLARIZATION; PROTON TRANSPORT; THEORETICAL MODEL; THERMODYNAMICS;

EID: 1942469032     PISSN: 14220067     EISSN: None     Source Type: Journal    
DOI: 10.3390/i4060335     Document Type: Article

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