Vibrational normal modes of diazo-dimedone: A comparative study by Fourier infrared/Raman spectroscopies and conformational analysis by MM/QM

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 67, Issue 3-4, 2007, Pages 1080-1087

  Tellez Soto C A ^a   Ramos, J M ^b   Rianelli, R S ^a   de Souza, M C B V ^a   Ferreira, V F ^a  

^a FLUMINENSE FEDERAL UNIVERSITY   (Brazil)

^b PONTIFICAL CATHOLIC UNIVERSITY OF RIO DE JANEIRO   (Brazil)

Author keywords

2 Diazo 5,5 dimethyl cyclohexane 1,3 dione; DFT:B3LYP 6 31G BpB86 DN; Vibrational spectra

Indexed keywords

CHEMICAL BONDS; CONFORMATIONS; DENSITY FUNCTIONAL THEORY; FOURIER TRANSFORM INFRARED SPECTROSCOPY; RAMAN SPECTROSCOPY; VIBRATIONAL SPECTRA;

FERMI RESONANCE; GEOMETRICAL STRUCTURES; NORMAL COORDINATE ANALYSIS (NCA);

NITROGEN COMPOUNDS;

AZO COMPOUND; CYCLOHEXANE; CYCLOHEXANE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPARATIVE STUDY; COMPUTER PROGRAM; COMPUTER SIMULATION; CONFORMATION; INFRARED SPECTROSCOPY; RAMAN SPECTROMETRY; VIBRATION;

AZO COMPOUNDS; COMPUTER SIMULATION; CYCLOHEXANES; MODELS, CHEMICAL; MOLECULAR CONFORMATION; SOFTWARE; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 34249724407     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2006.09.030     Document Type: Article

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