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Microwave and tunable far-infrared laser spectroscopy of OC-H_20: investigation of the water tunneling potential

Bumgarner, R. E. and Suzuki, Sakae and Stockman, Paul A. and Green, Peter G. and Blake, Geoffrey A. (1991) Microwave and tunable far-infrared laser spectroscopy of OC-H_20: investigation of the water tunneling potential. Chemical Physics Letters, 176 (1). pp. 123-127. ISSN 0009-2614. doi:10.1016/0009-2614(91)90021-Z.

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The K_p=O → 1 rotation—tunneling bands of O^(12)C-H_2O and O^(12)C-D_2O have been measured in the region between 400 and 600 GHz. Two bands for each isotopomer were observed corresponding to ΔK_p = 1, b-type rotational transitions in the A and B water tunneling states. Each band was fit independently using a Watson A-reduced Hamiltonian yielding all three rotational and several distortion constants per band. The effective A-rotational constants, A^*, contain a contribution due to water tunneling. Assuming the tunneling splittings are the same in K_p=0 and K_p=1, A^*(A state) − A^*(B state) = 2ν_t, where ν_t is the tunneling splitting. We obtain tunneling splitting of 16.684 GHz for O^(12)C-H_2O and 1.012 GHz for O^(12)C-D_2O. These measurements are in good agreement with the predictions of Yaron (J. Chem. Phys. 92 (1990) 7095). Effective one-dimensional potentials have been employed to place constraints on the hydrogen bond geometry, to model the measured tunneling splittings, and to predict higher frequency vibration—rotation-tunneling transitions.

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Blake, Geoffrey A.0000-0003-0787-1610
Additional Information:© 1991 Elsevier Science Publishers B.V. Received 20 August 1990. Packard Fellow, Sloan Fellow and Presidential Young Investigator. The authors wish to thank Dr. David Yaron for numerous helpful discussions throughout the course of this work and for providing a copy of ref. [17], prior to publication. REB would like to acknowledge the support of a Bantrell Fellowship administered by the California Institute of Technology. This work was supported in part by grants from the Packard and Sloan Foundations, the Caltech Beckman Institute and the NSF (CHEM-8957228). Acknowledgement is also made to the Donors of the Petroleum Research Fund, administered by the American Chemical Society, for partial support of this work.
Group:UNSPECIFIED, Division of Geological and Planetary Sciences
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Caltech Bantrell FellowshipUNSPECIFIED
Alfred P. Sloan FoundationUNSPECIFIED
Caltech Beckman InstituteUNSPECIFIED
American Chemical Society Petroleum Research FundUNSPECIFIED
David and Lucile Packard FoundationUNSPECIFIED
Issue or Number:1
Record Number:CaltechAUTHORS:20120911-133607201
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Official Citation:R.E. Bumgarner, Sakae Suzuki, Paul A. Stockman, Peter G. Green, Geoffrey A. Blake, Microwave and tunable far-infrared laser spectroscopy of OC-H2O: investigation of the water tunneling potential, Chemical Physics Letters, Volume 176, Issue 1, 4 January 1991, Pages 123-127, ISSN 0009-2614, 10.1016/0009-2614(91)90021-Z. (
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:34001
Deposited By: Ruth Sustaita
Deposited On:11 Sep 2012 21:13
Last Modified:09 Nov 2021 23:05

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