T-dependence of the vibrational dynamics of IBP/diME-β-CD in solid state: A FT-IR spectral and quantum chemical study

Journal of Molecular Structure

Volumn 972, Issue 1-3, 2010, Pages 75-80

  Crupi, V ^a   Guella, G ^b   Majolino, D ^a   Mancini, I ^b   Rossi, B ^b   Stancanelli, R ^a   Venuti, V ^a   Verrocchio, P ^b   Viliani, G ^b  

^a UNIVERSITY OF MESSINA   (Italy)

^b UNIVERSITY OF TRENTO   (Italy)

Author keywords

DFT calculations; FTIR ATR spectroscopy; Inclusion complexes

Indexed keywords

ATTENUATED TOTAL REFLECTANCE; CARBOXYLIC GROUP; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT CALCULATION; DIMERIC STRUCTURE; ENTHALPY CHANGE; FTIR-ATR SPECTRA; FTIR-ATR SPECTROSCOPY; HYDROGEN BONDINGS; INCLUSION COMPLEX; IR INTENSITIES; NON-STEROIDAL ANTI-INFLAMMATORY DRUGS; NUMERICAL SIMULATION; PROPANOIC ACID; QUANTUM CHEMICAL STUDIES; SOLID INCLUSION COMPLEXES; SOLID-PHASE; TEMPERATURE DEPENDENT; VIBRATIONAL DYNAMICS; VIBRATIONAL WAVENUMBERS;

COMPUTER SIMULATION; DATA STORAGE EQUIPMENT; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; QUANTUM CHEMISTRY; QUANTUM THEORY; STOICHIOMETRY; SULFUR COMPOUNDS;

FOURIER TRANSFORM INFRARED SPECTROSCOPY;

EID: 77952103887     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2010.01.055     Document Type: Article

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