Spectroscopic (FTIR, FT-Raman, NMR and UV) and molecular structure investigations of 1,5-diphenylpenta-1,4-dien-3-one: A combined experimental and theoretical study

Journal of Molecular Structure

Volumn 1030, Issue , 2012, Pages 191-203

  Sudha, S ^a   Sundaraganesan, N ^a   Vanchinathan, K ^a   Muthu, K ^a   Meenakshisundaram, Sp ^a  

^a ANNAMALAI UNIVERSITY   (India)

Author keywords

1,5 Diphenylpenta 1,4 dien 3 one; MEP; NBO; NMR; TD DFT; Vibrational spectra

Indexed keywords

1,5-DIPHENYLPENTA-1,4-DIEN-3-ONE; ATOMIC ORBITAL; BASIS SETS; CHARGE DENSITY DISTRIBUTIONS; DENSITY FUNCTIONAL THEORIES (DFT); DIMER STRUCTURE; FOURIER TRANSFORM INFRARED; FT-RAMAN; FT-RAMAN SPECTRUM; FTIR; H NMR SPECTRA; ISO SURFACE; MEP; MOLECULAR ASSOCIATIONS; MOLECULAR ELECTROSTATIC POTENTIALS; MOLECULAR STABILITY; NATURAL BOND ORBITAL ANALYSIS; NBO; NUCLEAR MAGNETIC RESONANCE CHEMICAL SHIFTS; OPTIMIZED GEOMETRIES; SPECTROSCOPIC INVESTIGATIONS; TD-DFT; THEORETICAL STUDY; VIBRATIONAL BANDS; VIBRATIONAL MODES; WAVE NUMBERS;

ACETONE; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; HYDROGEN BONDS; MOLECULES; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM CHEMISTRY; SPECTRUM ANALYSIS; VIBRATIONAL SPECTRA;

DIMERS;

EID: 84870253716     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2012.04.030     Document Type: Article

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