Far infrared vibration-rotation-tunneling spectroscopy and internal dynamics of methane—water: A prototypical hydrophobic system

Title:
Far infrared vibration-rotation-tunneling spectroscopy and internal dynamics of methane—water: A prototypical hydrophobic system
Authors:
Dore, L.; Cohen, R. C.; Schmuttenmaer, Charles A.; Busarow, K. L.; Elrod, Matthew J.; Loeser, Jennifer G.; Saykally, Richard J.
Abstract:
Thirteen vibration-rotation-tunneling (VRT) bands of the CH4—H2O complex have been measured in the range from 18 to 35.5 cm-1 using tunable far infrared laser spectroscopy. The ground state has an average center of mass separation of 3.70 A-ring and a stretching force constant of 1.52 N/m, indicating that this complex is more strongly bound than Ar—H2O. The eigenvalue spectrum has been calculated with a variational procedure using a spherical expansion of a site—site ab initio intermolecular potential energy surface [J. Chem. Phys. 93, 7808 (1991)]. The computed eigenvalues exhibit a similar pattern to the observed spectra but are not in quantitative agreement. These observations suggest that both monomers undergo nearly free internal rotation within the complex.
Citation:
L. Dore, R.C. Cohen, C.A. Schmuttenmaer, et al. 1994. "Far Infrared Vibration-Rotation-Tunneling Spectroscopy and Internal Dynamics of Methane—Water: A Prototypical Hydrophobic System." Journal of Chemical Physics 100(2): 863.
Publisher:
American Institute of Physics
DATE ISSUED:
1994-01-15
Department:
Chemistry
Type:
article
PUBLISHED VERSION:
10.1063/1.466569
PERMANENT LINK:
http://hdl.handle.net/11282/309810

Full metadata record

DC FieldValue Language
dc.contributor.authorDore, L.en_US
dc.contributor.authorCohen, R. C.en_US
dc.contributor.authorSchmuttenmaer, Charles A.en_US
dc.contributor.authorBusarow, K. L.en_US
dc.contributor.authorElrod, Matthew J.en_US
dc.contributor.authorLoeser, Jennifer G.en_US
dc.contributor.authorSaykally, Richard J.en_US
dc.date.accessioned2013-12-23T16:18:23Z-
dc.date.available2013-12-23T16:18:23Z-
dc.date.issued1994-01-15en
dc.identifier.citationL. Dore, R.C. Cohen, C.A. Schmuttenmaer, et al. 1994. "Far Infrared Vibration-Rotation-Tunneling Spectroscopy and Internal Dynamics of Methane—Water: A Prototypical Hydrophobic System." Journal of Chemical Physics 100(2): 863.en_US
dc.identifier.issn0021-9606en_US
dc.identifier.urihttp://hdl.handle.net/11282/309810-
dc.description.abstractThirteen vibration-rotation-tunneling (VRT) bands of the CH4—H2O complex have been measured in the range from 18 to 35.5 cm-1 using tunable far infrared laser spectroscopy. The ground state has an average center of mass separation of 3.70 A-ring and a stretching force constant of 1.52 N/m, indicating that this complex is more strongly bound than Ar—H2O. The eigenvalue spectrum has been calculated with a variational procedure using a spherical expansion of a site—site ab initio intermolecular potential energy surface [J. Chem. Phys. 93, 7808 (1991)]. The computed eigenvalues exhibit a similar pattern to the observed spectra but are not in quantitative agreement. These observations suggest that both monomers undergo nearly free internal rotation within the complex.en_US
dc.language.isoen_USen_US
dc.publisherAmerican Institute of Physicsen_US
dc.identifier.doi10.1063/1.466569-
dc.subject.departmentChemistryen_US
dc.titleFar infrared vibration-rotation-tunneling spectroscopy and internal dynamics of methane—water: A prototypical hydrophobic systemen_US
dc.typearticleen_US
dc.identifier.journalJournal of Chemical Physicsen_US
dc.subject.keywordFar infrared radiationen_US
dc.subject.keywordLaser spectroscopyen_US
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