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Determination of the Born–Oppenheimer potential function of CCl+ by velocity modulation diode laser spectroscopy

Gruebele, Martin and Polak, Mark and Blake, Geoffrey A. and Saykally, Richard J. (1986) Determination of the Born–Oppenheimer potential function of CCl+ by velocity modulation diode laser spectroscopy. Journal of Chemical Physics, 85 (11). pp. 6276-6281. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:GRUjcp86

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Abstract

Over 70 transitions among the lowest six vibrational states of C35Cl+ and C37Cl+ have been measured between 1070–1210 cm^−1. The spectrum has been fitted to a sixth order Dunham expansion to yield an accurate mapping of the Born–Oppenheimer potential function of CCl+. The spectroscopic constants obtained are ωe = 1177.7196(8) cm^−1, ωexe = 6.6475(3) cm^−1, and Be = 0.797 940(3) cm^−1. The rotational constants for both CCl+ isotopes reported here show the results of the previous electronic emission studies to be incorrect. A fit of the data to a Morse function yields a dissociation energy D of 52 828(50) cm^−1. The rotational temperature has been determined as 540 K±30%. The increase in the effective vibrational temperature with vibrational excitation indicates that CCl+ is formed with high internal energy.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1063/1.451457DOIUNSPECIFIED
http://link.aip.org/link/?JCPSA6/85/6276/1PublisherUNSPECIFIED
Additional Information:© 1986 American Institute of Physics. Received 23 June 1986; accepted 12 August 1986. This work was supported by a grant from IBM Corporation, the National Science Foundation Presidential Young Investigator Program (Grant No. CHE-8351885) and the NSF Structure and Thermodynamics Program (Grant No. CHE-8402861). The authors would also like to thank Edward Yang, for assistance with data collection. MG would like to thank the University of California for a fellowship and GAB would like to thank the Miller Research foundation for support. Finally, we are indebted to Professor K.N. Rao for making NH3 calibration spectra available to us before publication, and to Anthony Young and H.S. Johnston for providing one of the diodes used in this study. [G.A.B. was a] Berkeley Miller Postdoctoral Associate 1985-87. [R.J.S. was a] Berkeley Miller Research Professor 1985-86.
Funders:
Funding AgencyGrant Number
IBM CorporationUNSPECIFIED
National Science FoundationCHE-8351885
National Science FoundationCHE-8402861
University of California, BerkelyUNSPECIFIED
Miller Research FoundationUNSPECIFIED
Subject Keywords:LASER SPECTROSCOPY, VIBRATIONAL STATES, BORN−OPPENHEIMER APPROXIMATION, POTENTIALS, SPECTRAL FUNCTIONS, DISSOCIATION ENERGY, ENERGY−LEVEL TRANSITIONS, ORGANIC CHLORINE COMPOUNDS, PLASMA, CHLOROFORM, CARBON TETRACHLORIDE, SEMICONDUCTOR TECHNOLOGY, MATERIALS PROCESSING REACTORS, MOLECULAR IONS, POTENTIAL ENERGY SURFACES
Record Number:CaltechAUTHORS:GRUjcp86
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:GRUjcp86
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:12299
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:24 Nov 2008 22:34
Last Modified:26 Dec 2012 10:30

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