Synthesis, spectroscopic and DFT investigation of dimethyl-2-(5-acetyl-2,2- dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-(triphenylphosphinylidene)succinate

Journal of Molecular Structure

Volumn 985, Issue 1, 2011, Pages 120-127

  Vessally, E ^a   Fereyduni, E ^b   Erdogdu, Y ^c   Habibi, A ^b   Eskandari, K ^b   Gulluoglu, M T ^c  

^a PAYAME NOOR UNIVERSITY   (Iran)

^b KHARAZMI UNIVERSITY   (Iran)

^c AHI EVRAN UNIVERSITY   (Turkey)

Author keywords

Density functional theory; Dimethyl 2 (5 acetyl 2,2 dimethyl 4,6 dioxo 1,3 dioxan 5 yl) 3 (triphenylphosphinylidene)succinate; GIAO; Infrared spectra; Vibrational spectra

Indexed keywords

BASIS SETS; DENSITY FUNCTIONAL THEORY METHODS; DIMETHYL-2-(5-ACETYL-2,2-DIMETHYL-4,6-DIOXO-1,3-DIOXAN-5-YL) -3-(TRIPHENYLPHOSPHINYLIDENE)SUCCINATE; ELEMENTAL ANALYSIS; FT-IR SPECTRUM; GAUGE-INCLUDING ATOMIC ORBITALS; GIAO; HARMONIC VIBRATIONAL WAVENUMBERS; INFRARED SPECTRUM; SCALED QUANTUM MECHANICS; TITLE COMPOUNDS; TOTAL ENERGY DISTRIBUTIONS; VIBRATIONAL MODES; VIBRATIONAL WAVENUMBERS; WAVE NUMBERS;

QUANTUM CHEMISTRY; QUANTUM THEORY; SPECTROSCOPY; VIBRATIONAL SPECTRA;

DENSITY FUNCTIONAL THEORY;

EID: 78650517079     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2010.10.031     Document Type: Article

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