Infrared and ab initio studies of hydrogen bonding and proton transfer in the complexes formed by pyrazoles

Journal of Molecular Structure

Volumn 660, Issue 1-3, 2003, Pages 25-40

  Castaneda, J P ^a   Denisov, G S ^a   Kucherov, S Yu ^a   Schreiber, V M ^a   Shurukhina, A V ^a  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

Author keywords

Hydrogen bonding; IR spectra; Proton transfer; Pyrazoles

Indexed keywords

3,5 DIMETHYLPYRAZOLE; ACETIC ACID; CARBOXYLIC ACID; DIMER; HYDROBROMIC ACID; MONOMER; PENTACHLOROPHENOL; PYRAZOLE DERIVATIVE; TRIFLUOROACETIC ACID; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; GAS; HYDROGEN BOND; INFRARED SPECTROSCOPY; PROTON TRANSPORT; QUANTUM MECHANICS; SOLID; TEMPERATURE;

EID: 0142152347     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2003.07.010     Document Type: Article

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