Vibrational spectroscopic analysis of 2-chloro-5-(2,5-dimethoxy- benzylidene)-1,3-diethyl-dihydro-pyrimidine-4,6(1H,5H)-dione

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 97, Issue , 2012, Pages 1079-1084

  Soliman, H S ^a   Eid, Kh M ^a   Ali, H A M ^a   Atef, S M ^a   El Mansy, M A M ^a  

^a Ain Shams University   (Egypt)

Author keywords

DFT; FT IR; HF; HOMO LUMO energies; Vibrational analysis

Indexed keywords

BASIS SETS; BENZYLIDENE; COMPUTATIONAL STUDIES; DFT; FT-IR; FT-IR SPECTRUM; HOMO-LUMO ENERGIES; HOMO-LUMO ENERGY GAP; MOLECULAR STRUCTURAL PARAMETERS; PHOTOVOLTAIC DEVICES; THERMO-CHEMICAL; VIBRATIONAL ANALYSIS; VIBRATIONAL SPECTROSCOPIC ANALYSIS;

ENERGY GAP; HAFNIUM; SOLIDS; SPECTROSCOPIC ANALYSIS;

AROMATIC COMPOUNDS;

2 CHLORO 5 (2,5 DIMETHOXY BENZYLIDENE) 1,3 DIETHYL DIHYDRO PYRIMIDINE 4,6(1H,5H) DIONE; 2-CHLORO-5-(2,5-DIMETHOXY-BENZYLIDENE)-1,3-DIETHYL-DIHYDRO-PYRIMIDINE-4,6(1H,5H)-DIONE; PYRIMIDINE; PYRIMIDINE DERIVATIVE; PYRIMIDINONE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; INFRARED SPECTROSCOPY; KINETICS; QUANTUM THEORY; THERMODYNAMICS; VIBRATION;

KINETICS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PYRIMIDINES; PYRIMIDINONES; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; THERMODYNAMICS; VIBRATION;

EID: 84865407271     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2012.07.104     Document Type: Article

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