Molecular structure and vibrational spectra of 2-amino-5-methyl pyridine and 2-amino-6-methyl pyridine by density functional methods

Journal of Molecular Structure

Volumn 891, Issue 1-3, 2008, Pages 284-291

  Sundaraganesan, N ^a   Meganathan, C ^a   Kurt, Mustafa ^b  

^a ANNAMALAI UNIVERSITY   (India)

^b AHI EVRAN UNIVERSITY   (Turkey)

Author keywords

2 Amino 5 methylpyridine (=2A5MP); 2 Amino 6 methylpyridine (=2A6MP); Density functional theory; DFT calculations; IR and Raman spectra; Molecular structure

Indexed keywords

AMINATION; AMINES; FOURIER TRANSFORMS; INFRARED SPECTROSCOPY; MOLECULAR SPECTROSCOPY; MOLECULAR STRUCTURE; MOLECULES; PHOTORESISTS; PYRIDINE; QUANTUM CHEMISTRY; SINGLE CRYSTALS; SULFUR COMPOUNDS; X RAY DIFFRACTION;

2-AMINO-5-METHYLPYRIDINE (=2A5MP); 2-AMINO-6-METHYLPYRIDINE (=2A6MP); DFT CALCULATIONS; FOURIER TRANSFORM INFRARED; FUNCTIONAL METHODS; GAS PHASE; GEOMETRIC PARAMETERS; HARMONIC AND ANHARMONIC FREQUENCIES; INFRARED SPECTRUMS; IR AND RAMAN SPECTRA; IR SPECTRUM; METHYL PYRIDINES; SINGLE CRYSTAL X-RAY DIFFRACTIONS; VIBRATIONAL ASSIGNMENTS;

DENSITY FUNCTIONAL THEORY;

EID: 55549112546     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2008.03.051     Document Type: Article

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