Study on molecular structure and vibrational spectra of (triphenylphosphoranylidene) acetaldehyde using DFT: A combined experimental and quantum chemical approach

Journal of Molecular Structure

Volumn 1012, Issue , 2012, Pages 105-112

  Dereli, O ^a   Erdogdu, Y ^b   Gulluoglu, M T ^b  

^a SELCUK UNIVERSITY   (Turkey)

^b AHI EVRAN UNIVERSITY   (Turkey)

Author keywords

(Triphenylphosphoranylidene) acetaldehyde; DFT; FT IR; FT Raman; PED; Vibrational spectra

Indexed keywords

B3LYP METHOD; BASIS SETS; CONFORMATIONAL SEARCH; DFT; FT-IR; FT-IR SPECTRUM; FT-RAMAN; FT-RAMAN SPECTRUM; GEOMETRIC PARAMETER; PED; QUANTUM CHEMICAL APPROACH; TITLE COMPOUNDS;

QUANTUM CHEMISTRY; VIBRATIONAL SPECTRA;

ACETALDEHYDE;

EID: 84857621994     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2011.12.040     Document Type: Article

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