A ROVIBRATIONAL ANALYSIS OF THE WATER BENDING VIBRATION IN OC-H2O AND A MORPHED POTENTIAL OF THE COMPLEX

Rivera-Rivera, Luis A.

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https://hdl.handle.net/2142/79360 Copy

Description

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.

Issue Date

24-Jun-15

Keyword(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.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

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http://hdl.handle.net/2142/79360

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