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

Martin Gruebele; Mark Polak; Geoffrey A. Blake; Richard J. Saykally

doi:10.1063/1.451457

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

Martin Gruebele, Mark Polak, Geoffrey A. Blake, Richard J. Saykally

Research output: Contribution to journal › Article › peer-review

Abstract

Over 70 transitions among the lowest six vibrational states of C ³⁵Cl⁺ 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 ω_e = 1177.7196(8) cm^-1, ω_ex _e = 6.6475(3) cm^-1, and B_e = 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.

Original language	English (US)
Pages (from-to)	6276-6281
Number of pages	6
Journal	The Journal of Chemical Physics
Volume	85
Issue number	11
DOIs	https://doi.org/10.1063/1.451457
State	Published - 1986
Externally published	Yes

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1063/1.451457

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Cite this

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title = "Determination of the Born-Oppenheimer potential function of CCl+ by velocity modulation diode laser spectroscopy",

abstract = "Over 70 transitions among the lowest six vibrational states of C 35Cl+ 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, ωex e = 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.",

author = "Martin Gruebele and Mark Polak and Blake, {Geoffrey A.} and Saykally, {Richard J.}",

year = "1986",

doi = "10.1063/1.451457",

language = "English (US)",

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pages = "6276--6281",

journal = "The Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics Publising LLC",

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TY - JOUR

T1 - Determination of the Born-Oppenheimer potential function of CCl+ by velocity modulation diode laser spectroscopy

AU - Gruebele, Martin

AU - Polak, Mark

AU - Blake, Geoffrey A.

AU - Saykally, Richard J.

PY - 1986

Y1 - 1986

N2 - Over 70 transitions among the lowest six vibrational states of C 35Cl+ 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, ωex e = 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.

AB - Over 70 transitions among the lowest six vibrational states of C 35Cl+ 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, ωex e = 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.

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