Vibrational analysis of the conformers and understanding the genesis of the internal rotational barriers of Isobutyl Cyanide molecule

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 96, Issue , 2012, Pages 837-847

  Dutta, Bipan ^a   De, Rina ^b   Pal, Chandramadhab ^b   Chowdhury, Joydeep ^a  

^a Sammilani Mahavidyalaya   (India)

^b Raja Rammohun Roy Mahavidyalaya ^*  (India)

Author keywords

Ab Initio; Barrier to internal rotation; DFT; Natural bond orbital analyses; Vibrational analyses

Indexed keywords

AB INITIO; BARRIER TO INTERNAL ROTATION; DFT; NATURAL BOND ORBITAL ANALYSIS; VIBRATIONAL ANALYSIS;

CYANIDES; QUANTUM CHEMISTRY;

MOLECULES;

CYANIDE; ISOBUTYL CYANIDE; NITRILE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; MECHANICAL TORSION; RAMAN SPECTROMETRY; ROTATION; THERMODYNAMICS; VIBRATION;

CYANIDES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NITRILES; ROTATION; SPECTRUM ANALYSIS, RAMAN; THERMODYNAMICS; TORSION, MECHANICAL; VIBRATION;

EID: 84865423359     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2012.07.106     Document Type: Article

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