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. doi:10.1063/1.451457. https://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:

URL	URL Type	Description
http://dx.doi.org/10.1063/1.451457	DOI	Article
http://link.aip.org/link/?JCPSA6/85/6276/1	Publisher	Article

ORCID:

Author	ORCID
Blake, Geoffrey A.	0000-0003-0787-1610

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 Agency	Grant Number
IBM	UNSPECIFIED
NSF	CHE-8351885
NSF	CHE-8402861
University of California, Berkely	UNSPECIFIED
Miller Institute for Basic Research in Science	UNSPECIFIED

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

Issue or Number:

DOI:

10.1063/1.451457

Record Number:

CaltechAUTHORS:GRUjcp86

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https://resolver.caltech.edu/CaltechAUTHORS:GRUjcp86

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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:

08 Nov 2021 22:27

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