Molecular structures and vibrational frequencies of 2-, 3- and 4-pyridine carboxaldehydes by ab initio Hartree-Fock and density functional theory calculations

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 67, Issue 2, 2007, Pages 465-471

  Saǧlam, Adnan ^a   Ucun, Fatih ^a   Güçlü, Vesile ^a  

^a SULEYMAN DEMIREL UNIVERSITY   (Turkey)

Author keywords

DFT; HF; IR spectra; Pyridine carboxaldehydes; Raman spectra; Vibrations

Indexed keywords

DENSITY FUNCTIONAL THEORY; INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; RAMAN SCATTERING; VIBRATIONAL SPECTRA;

HARTREE FOCK (HF); PYRIDINE CARBOXALDEHYDES; RELATIVE ENERGY; VIBRATIONAL DEVIATION;

ALDEHYDES;

ALDEHYDE; PYRIDINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; MATHEMATICAL COMPUTING; VIBRATION;

ALDEHYDES; MATHEMATICAL COMPUTING; MOLECULAR STRUCTURE; PYRIDINES; VIBRATION;

EID: 34247521873     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2006.08.005     Document Type: Article

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