Molecular structure and vibrational spectra of 1,3-bis(4-pyridyl)propane by quantum chemical calculations

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 71, Issue 2, 2008, Pages 377-387

  Erdoǧdu, Yusuf ^a   Tahir Gulluoglu M ^a   Kurt, Mustafa ^a  

^a AHI EVRAN UNIVERSITY   (Turkey)

Author keywords

1,3 Bis(4 pyridyl)propane; Density functional theory; Vibrational spectra

Indexed keywords

DENSITY FUNCTIONAL THEORY; MOLECULAR SPECTROSCOPY; PROPANE; QUANTUM CHEMISTRY; RAMAN SCATTERING; RAMAN SPECTROSCOPY; VIBRATIONAL SPECTRA;

1,3-BIS(4-PYRIDYL)PROPANE; EXPERIMENTAL OBSERVATIONS; EXPERIMENTAL VALUES; GEOMETRIC BOND LENGTHS; HARMONIC VIBRATIONAL FREQUENCIES; IR AND RAMAN SPECTRUM; PYRIDYL; QUANTUM CHEMICAL CALCULATIONS; RAMAN SPECTRUM; TOTAL ENERGY DISTRIBUTIONS;

EXPERIMENTS;

1,3 BIS(4 PYRIDYL)PROPANE; 1,3-BIS(4-PYRIDYL)PROPANE; PYRIDINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROPHOTOMETRY; QUANTUM THEORY; RAMAN SPECTROMETRY; VIBRATION;

MODELS, MOLECULAR; MOLECULAR STRUCTURE; PYRIDINES; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 54149116352     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2008.01.012     Document Type: Article

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