Vibrational spectra, UV and NMR, first order hyperpolarizability and HOMO-LUMO analysis of 2-amino-4-chloro-6-methylpyrimidine

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 97, Issue , 2012, Pages 811-824

  Jayavarthanan, T ^a   Sundaraganesan, N ^b   Karabacak, M ^c   Cinar, M ^c   Kurt, M ^d  

^a SRI MANAKULA VINAYAGAR ENGINEERING COLLEGE   (India)

^b ANNAMALAI UNIVERSITY   (India)

^c AFYON KOCATEPE UNIVERSITY   (Turkey)

^d AHI EVRAN UNIVERSITY   (Turkey)

Author keywords

2 Amino 4 chloro 6 methylpyrimidine; First order hyperpolarizability; HOMO LUMO; NMR; TD DFT; Vibrational spectra

Indexed keywords

2-AMINO-4-CHLORO-6-METHYLPYRIMIDINE; ATOMIC ORBITAL; BASIS SETS; EXPERIMENTAL DATA; EXPERIMENTAL FREQUENCIES; FIRST ORDER; FTIR AND FT-RAMAN SPECTRA; HOMO-LUMO; HYPER-POLARIZABILITY; INFRARED AND RAMAN SPECTRA; LUMO ENERGY; NMR SPECTRUM; NON-LINEAR OPTICAL; NUCLEAR MAGNETIC RESONANCE CHEMICAL SHIFTS; OVERTONE BANDS; SOLID-PHASE; STRUCTURAL CHARACTERISTICS; TD-DFT; TIME-DEPENDENT; UV- AND; UV-VIS SPECTRUM;

DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; FOURIER TRANSFORM INFRARED SPECTROSCOPY; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM CHEMISTRY; RAMAN SCATTERING; VIBRATIONAL SPECTRA;

MOLECULES;

2 AMINO 4 CHLORO 6 METHYLPYRIMIDINE; 2-AMINO-4-CHLORO-6-METHYLPYRIMIDINE; PYRIMIDINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ELECTRICITY; ELECTRON; ENTROPY; INFRARED SPECTROSCOPY; KINETICS; LIGHT RELATED PHENOMENA; NONLINEAR SYSTEM; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; RAMAN SPECTROMETRY; STATIC ELECTRICITY; TEMPERATURE; ULTRAVIOLET SPECTROPHOTOMETRY; VIBRATION;

ELECTRICITY; ELECTRONS; ENTROPY; KINETICS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NONLINEAR DYNAMICS; OPTICAL PHENOMENA; PYRIMIDINES; SPECTROPHOTOMETRY, ULTRAVIOLET; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; STATIC ELECTRICITY; TEMPERATURE; VIBRATION;

EID: 84866423014     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2012.07.064     Document Type: Article

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