Analysis of vibrational spectra of 2 and 3-methylpiperidine based on density functional theory calculations

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 74, Issue 1, 2009, Pages 162-167

  Erdogdu, Yusuf ^a   Güllüoǧlu, M Tahir ^a  

^a AHI EVRAN UNIVERSITY   (Turkey)

Author keywords

2 and 3 methylpiperidine; Density functional theory; Molecular structure; Vibrational spectra

Indexed keywords

2 AND 3-METHYLPIPERIDINE; BASIS SETS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DENSITY FUNCTIONALS; INFRARED SPECTRUM; LIQUID PHASE; ONE-FORM; STABLE STRUCTURES; STRUCTURAL AND SPECTROSCOPIC ANALYSIS; TOTAL ENERGY DISTRIBUTIONS; WAVE NUMBERS;

INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; MOLECULES; SPECTROSCOPIC ANALYSIS; VIBRATIONAL SPECTRA;

DENSITY FUNCTIONAL THEORY;

2 PIPECOLINE; 2-METHYLPIPERIDINE; 3 METHYLPIPERIDINE; 3-METHYLPIPERIDINE; CARBON; NITROGEN; PIPERIDINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; HYDROGEN BOND; INFRARED SPECTROSCOPY; QUANTUM THEORY; RAMAN SPECTROMETRY; VIBRATION;

CARBON; COMPUTER SIMULATION; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NITROGEN; PIPERIDINES; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 68849120056     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2009.05.025     Document Type: Article

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