Vibrational analysis and excited-state geometric changes of betaine-30 derived from Raman and infrared spectra combined with ab initio calculations

Journal of Raman Spectroscopy

Volumn 31, Issue 8-9, 2000, Pages 797-803

  Hogiu, S ^a   Dreyer, J ^a   Pfeiffer, M ^a   Brzezinka, K W ^b   Werncke, W ^a  

^a MAX BORN INSTITUT   (Germany)

^b BAM FEDERAL INSTITUTE FOR MATERIALS RESEARCH AND TESTING   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BETAINES; CHARGE TRANSFER; GEOMETRY; GROUND STATE; QUANTUM CHEMISTRY; VIBRATION ANALYSIS;

AB INITIO CALCULATIONS; EXCITED-STATE GEOMETRIES; EXCITED-STATES; GEOMETRIC CHANGES; GEOMETRY CHANGE; PYRIDINIUM; RAMAN AND INFRARED SPECTRA; THEORETICAL STUDY; VIBRATIONAL ANALYSIS; VIBRATIONAL MODES;

EXCITED STATES;

BETAINE; NITROGEN; PHENOL DERIVATIVE; PYRIDINIUM DERIVATIVE;

ARTICLE; CALCULATION; CONFORMATIONAL TRANSITION; EXCITATION; GEOMETRY; INFRARED SPECTROMETRY; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; RAMAN SPECTROMETRY; VIBRATION;

EID: 0033647087     PISSN: 03770486     EISSN: None     Source Type: Journal    
DOI: 10.1002/1097-4555(200008/09)31:8/9<797::AID-JRS604>3.0.CO;2-S     Document Type: Article

References (21)