Observation of various conformers of 4-cyano-4′-alkylbiphenyl by IR spectroscopy and density functional theory calculations

Journal of Molecular Structure

Volumn 735-736, Issue SPEC. ISS., 2005, Pages 27-37

  Tanaka, Satomi ^a   Kato, Chihiro ^a   Horie, Kazuyuki ^b  

^a KANAGAWA ACADEMY OF SCIENCE AND TECHNOLOGY   (Japan)

^b TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY   (Japan)

Author keywords

Conformer; Density functional theory; Infrared spectroscopy; Liquid crystal; Vibrational analysis

Indexed keywords

INFRARED SPECTROSCOPY; MOLECULAR VIBRATIONS; PHASE TRANSITIONS; PROBABILITY DENSITY FUNCTION; SPECTRUM ANALYSIS; THERMAL EFFECTS;

ALKYL CHAINS; CONFORMERS; DENSITY FUNCTIONAL THEORY (DFT); WAVENUMBERS;

CONFORMATIONS;

BIPHENYL DERIVATIVE; CARBON; HYDROGEN;

ABSORPTION SPECTROSCOPY; ARTICLE; CONFORMATION; DENSITY FUNCTIONAL THEORY; INFRARED SPECTROSCOPY; LOW TEMPERATURE; MATHEMATICAL COMPUTING; PHASE TRANSITION; VIBRATION;

EID: 12344332511     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2004.11.008     Document Type: Article

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