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Title:A ROVIBRATIONAL ANALYSIS OF THE WATER BENDING VIBRATION IN OC-H2O AND A MORPHED POTENTIAL OF THE COMPLEX
Author(s):Rivera-Rivera, Luis A.
Contributor(s):Coudert, L. H.; Bevan, John W.; Lucchese, Robert R.; Leonov, Igor I; McElmurry, Blake A.; Springer, Sean D.
Subject(s):Non-covalent interactions
Abstract:Rovibrational transitions associated with tunneling states in the water bending vibration in OC-H$_2$O complex have been recorded using a supersonic jet quantum cascade laser spectrometer at 6.2 $mu$m. Analysis of the resulting spectra is facilitated by incorporating fits of previously recorded microwave and submillimeter data accounting for Coriolis coupling to obtain the levels of the ground vibrational state. The results were then used to confirm assignment of the vibration and explore the nature of tunneling dynamics in associated vibrationally excited states of the complex. A seven-dimension textit{ab initio} interaction potential is constructed for the complex. The available spectroscopic data is used to generated a morphed potential. Previous prediction of the $D_0$ of the complex will be incorporated in the analysis.
Issue Date:24-Jun-15
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:ACS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/79360
Date Available in IDEALS:2016-01-05


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