A cryospectroscopic study of the blue-shifting C-H⋯O bonded complexes of pentafluoroethane with dimethyl ether-d6, acetone-d6 and oxirane-d4

Journal of Molecular Structure

Volumn 976, Issue 1-3, 2010, Pages 97-104

  van der Veken, B J ^a   Delanoye, S N ^a   Michielsen, B ^a   Herrebout, W A ^a  

^a UNIVERSITY OF ANTWERP   (Belgium)

Author keywords

Ab initio calculations; Blue shifting hydrogen bonds; Cryosolutions; Infrared spectroscopy; Van der Waals molecules

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; BLUE SHIFT; BLUE SHIFTING HYDROGEN BONDS; COMPLEXATION ENERGY; COMPLEXATION ENTHALPIES; CRYOSOLUTIONS; DIMETHYL ETHERS; FLUOROFORMS; FREE ENERGY PERTURBATION SIMULATION; HYDROGEN-BONDED COMPLEXES; INFRARED SPECTRUM; INTENSITY RATIO; MONTE CARLO; OXIRANES; PENTAFLUOROETHANE; PROTON ACCEPTORS; SOLVENT CORRECTION; VAN DER WAALS MOLECULES;

ACETONE; CALCULATIONS; COMPLEXATION; DISSOLUTION; ETHERS; FREE ENERGY; FUELS; HYDROGEN; HYDROGEN BONDS; KRYPTON; ORGANIC COMPOUNDS; VAN DER WAALS FORCES;

INFRARED SPECTROSCOPY;

EID: 77953707946     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2010.02.017     Document Type: Article

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