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The highly excited C-H stretching states of CHD_3, CHT_3, and CH_3D

Voth, Gregory A. and Marcus, R. A. and Zewail, A. H. (1984) The highly excited C-H stretching states of CHD_3, CHT_3, and CH_3D. Journal of Chemical Physics, 81 (12). pp. 5494-5507. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:20120703-093554866

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Abstract

Unlike many other molecules having local modes, the highly excited C-H stretching states of CHD_3 show well resolved experimental spectra and simple Fermi resonance behavior. In this paper the local mode features in this prototype molecule are examined using a curvilinear coordinate approach. Theory and experiment are used to identify the vibrational state coupling. Both kinetic and potential terms are employed in order to characterize the coupling of the C-H stretch to various other vibrational modes, notably those including D-C-H bending. Predictions are also made for CHT_3 and the role of dynamical coupling on the vibrational states of CH_3D explored. Implications of these findings for mode-specific and other couplings are discussed.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1063/1.447650DOIUNSPECIFIED
http://jcp.aip.org/resource/1/jcpsa6/v81/i12/p5494_s1PublisherUNSPECIFIED
Additional Information:© 1984 American Institute of Physics. Received 9 July 1984; accepted 11 September 1984. This work is supported by grants from the National Science Foundation. We would like to thank Dr. J. W. Perry for many helpful discussions on the experimental and theoretical aspects of this work and Dr. A. G. Robiette for information on the various coordinate systems used in our calculations.
Funders:
Funding AgencyGrant Number
NSFUNSPECIFIED
Subject Keywords:methane; deuterium; tritium; vibrational states; coupling; oscillation modes; excited states; isotope effects; fermi resonance
Other Numbering System:
Other Numbering System NameOther Numbering System ID
Caltech Arthur Amos Noyes Laboratory of Chemical Physics7057
Classification Code:PACS: 33.20.Tp; 31.50.Df; 33.20.Ea
Record Number:CaltechAUTHORS:20120703-093554866
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20120703-093554866
Official Citation:The highly excited C--H stretching states of CHD[sub 3], CHT[sub 3], and CH[sub 3]D Gregory A. Voth, R. A. Marcus, and A. H. Zewail, J. Chem. Phys. 81, 5494 (1984), DOI:10.1063/1.447650
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:32250
Collection:CaltechAUTHORS
Deposited By: Aucoeur Ngo
Deposited On:03 Jul 2012 18:15
Last Modified:26 Dec 2012 15:27

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