Density functional theory calculations and vibrational spectra of 2-bromo-4-chloro phenol and 2-chloro-4-nitro phenol

Journal of Raman Spectroscopy

Volumn 40, Issue 11, 2009, Pages 1551-1556

  Krishnakumar, V ^a   Jayamani, N ^b   Mathammal, R ^c   Parasuraman, K ^d  

^a PERIYAR UNIVERSITY   (India)

^b Bharathiyar Arts and Science College (W)   (India)

^c Sri Sarada College for Women   (India)

^d Poompuhar College (Autonomous)   (India)

Author keywords

2 bromo 4 chloro phenol; 2 chloro 4 nitro phenol; DFT calculations; Vibrational analysis; Vibrational spectra

Indexed keywords

DENSITY FUNCTIONAL THEORY; FOURIER TRANSFORM INFRARED SPECTROSCOPY; STRUCTURAL OPTIMIZATION; VIBRATIONAL SPECTRA;

2-BROMO-4-CHLORO PHENOL; 2-CHLORO-4-NITRO PHENOL; DENSITY-FUNCTIONAL THEORY CALCULATIONS; FTIR AND FT-RAMAN SPECTRA; GEOMETRY OPTIMIZATION; NITROPHENOLS; STRUCTURE GEOMETRY; VIBRATIONAL ANALYSIS; VIBRATIONAL WAVENUMBERS;

PHENOLS;

EID: 70450162173     PISSN: 03770486     EISSN: 10974555     Source Type: Journal    
DOI: 10.1002/jrs.2297     Document Type: Article

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