Molecular structure and vibrational spectra of 2,6-bis(benzylidene) cyclohexanone: A density functional theoretical study

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 78, Issue 1, 2011, Pages 113-121

  Sajan, D ^a,d   Udaya Lakshmi, K ^b   Erdogdu, Y ^c   Hubert Joe, I ^d  

^a BISHOP MOORE COLLEGE   (India)

^b SAVEETHA UNIVERSITY   (India)

^c AHI EVRAN UNIVERSITY   (Turkey)

^d MAR IVANIOS COLLEGE   (India)

Author keywords

Conjugation; DFT; FT IR; NBO analysis; NIR FT Raman; Vibrational spectra

Indexed keywords

CONJUGATION; DFT; FT-IR; NBO ANALYSIS; NIR-FT RAMAN;

CONFORMATIONS; DENSITY FUNCTIONAL THEORY; HYDROGEN; HYDROGEN BONDS; INFRARED DEVICES; SPECTRUM ANALYSIS; STRETCHING; VIBRATION ANALYSIS; VIBRATIONAL SPECTRA;

FOURIER TRANSFORMS;

2,6 BIS(BENZYLIDENE)CYCLOHEXANONE; 2,6-BIS(BENZYLIDENE)CYCLOHEXANONE; CYCLOHEXANONE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; INFRARED SPECTROSCOPY; QUANTUM THEORY; RAMAN SPECTROMETRY; STATIC ELECTRICITY; THERMODYNAMICS; VIBRATION; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; CYCLOHEXANONES; MODELS, CHEMICAL; MOLECULAR CONFORMATION; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; STATIC ELECTRICITY; THERMODYNAMICS; VIBRATION;

EID: 78650700445     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2010.09.007     Document Type: Article

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