Quantum chemical and spectroscopic (FT-IR and FT-Raman) investigations of 3-methyl-3h-imidazole-4-carbaldehyde

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 133, Issue , 2014, Pages 683-696

  Polat, Turgay ^a   Yurdakul, Şenay ^b  

^a KASTAMONU UNIVERSITY   (Turkey)

^b GAZI UNIVERSITY   (Turkey)

Author keywords

3 Methyl 3h imidazole 4 carbaldehyde; DFT; FT IR and FT Raman; HOMO LUMO energies; MESP (molecular electrostatic potential surfaces); Solvent effect

Indexed keywords

CHARGE TRANSFER; CHEMICAL BONDS; CONTINUUM MECHANICS; ELECTRONIC PROPERTIES; ELECTROSTATICS; MOLECULAR INTERACTIONS; MOLECULES; QUANTUM CHEMISTRY; SOLVENTS;

3-METHYL-3H-IMIDAZOLE-4-CARBALDEHYDE; FT-RAMAN; HOMO-LUMO ENERGIES; MOLECULAR ELECTROSTATIC POTENTIALS; SOLVENT EFFECTS;

MOLECULAR VIBRATIONS;

ALDEHYDE; IMIDAZOLE DERIVATIVE; IMIDAZOLE-4,5-DICARBALDEHYDE;

CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROSCOPY; METHYLATION; QUANTUM THEORY; RAMAN SPECTROMETRY;

ALDEHYDES; IMIDAZOLES; METHYLATION; MODELS, MOLECULAR; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN;

EID: 84904017440     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2014.05.039     Document Type: Article

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