Experimental and theoretical study of the structures and enthalpies of formation of 3 H -1,3-benzoxazole-2-thione, 3 H -1,3-benzothiazole-2-thione, and their tautomers

Journal of Physical Chemistry A

Volumn 114, Issue 21, 2010, Pages 6336-6341

  Roux, Maria Victoria ^a   Temprado, Manuel ^a   Jiménez, Pilar ^a   Foces Foces, Concepcin ^a   Notario, Rafael ^a   Parameswar, Archana R ^b   Demchenko, Alexei V ^b   Chickos, James S ^b   Deakyne, Carol A ^c   Liebman, Joel F ^d  

^a INSTITUTO DE QUÍMICA FÍSICA ROCASOLANO   (Spain)

^b UNIVERSITY OF MISSOURI ST LOUIS   (United States)

^c UNIVERSITY OF MISSOURI   (United States)

^d UNIVERSITY OF MARYLAND BALTIMORE COUNTY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BENZOTHIAZOLES; BENZOXAZOLE; BOMB COMBUSTION CALORIMETRY; ENTHALPIES OF FORMATION; EXPERIMENTAL VALUES; GASPHASE; KNUDSEN EFFUSION TECHNIQUE; MOLAR ENTHALPY; STRUCTURAL DATA; THEORETICAL RESULT; THEORETICAL STUDY;

COMBUSTION;

ENTHALPY;

3H 1,3 BENZOTHIAZOLE 2 THIONE; 3H-1,3-BENZOTHIAZOLE-2-THIONE; BENZOTHIAZOLE DERIVATIVE; BENZOXAZOLE DERIVATIVE; BENZOXAZOLETHIONE; THIOKETONE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ELECTRON; GAS; ISOMERISM; QUANTUM THEORY; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

BENZOTHIAZOLES; BENZOXAZOLES; CRYSTALLOGRAPHY, X-RAY; ELECTRONS; GASES; ISOMERISM; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; THERMODYNAMICS; THIONES;

EID: 77953010364     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp102126j     Document Type: Article

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