FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra and molecular geometry of butylated hydroxy toluene

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 79, Issue 3, 2011, Pages 562-569

  Chinna Babu, P ^a   Sundaraganesan, N ^a   Dereli, O ^b   Turkkan E ^b  

^a ANNAMALAI UNIVERSITY   (India)

^b SELCUK UNIVERSITY   (Turkey)

Author keywords

Assignments; Butylated hydroxytoluene (BHT); Conformational stability; HOMO LUMO; TD DFT; Vibrational spectra

Indexed keywords

ASSIGNMENTS; BUTYLATED HYDROXYTOLUENE; CONFORMATIONAL STABILITY; HOMO-LUMO; TD-DFT;

ABSORPTION SPECTROSCOPY; CHARGE TRANSFER; GEOMETRY; ION EXCHANGE; MOLECULAR STRUCTURE; OPTIMIZATION; RAMAN SCATTERING; RAMAN SPECTROSCOPY; VIBRATIONAL SPECTRA;

TOLUENE;

BUTYLCRESOL;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; INFRARED SPECTROSCOPY; QUANTUM THEORY; RAMAN SPECTROMETRY;

BUTYLATED HYDROXYTOLUENE; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN;

EID: 79956284278     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.03.034     Document Type: Article

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