High-resolution spectroscopic investigation of the (B)over-bar(2)A(1)-(X)over-bar(2)A(1) transitions of CaCH3 and SrCH3

P M  Sheridan; M J  Dick; J G  Wang; P F  Bernath

doi:10.1021/jp054228q

High-resolution spectroscopic investigation of the (B)over-bar(2)A(1)-(X)over-bar(2)A(1) transitions of CaCH3 and SrCH3

P M Sheridan, M J Dick, J G Wang, P F Bernath

Chemistry

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

Abstract

High-resolution spectra of the B ($) over tilde (2)A(1) - X ($) over tildeA(1) transitions of CaCH3 and SrCH3 have been recorded in a molecular jet/laser ablation source using laser excitation spectroscopy. Transitions arising from the K = 0 and I sub-bands have been observed for both molecules. An analysis of the data using a (2)A(1) symmetric top Hamiltonian has determined rotational and spin-rotation constants for the B ($) over tilde (2)A(1) state of each molecule. From the rotational constants, structures have been estimated for both CaCH3 and SrCH3. The spin-rotation constant, is an element of(bc) = (is an element of(bb) + is an element of(cc))/2, in the B ($) over tilde (2)A(1) state for both molecules is in reasonable agreement with the value calculated using the pure precession approximation. For CaCH3, the K' = 1 levels of the B ($) over tilde (2)A(1) state exhibit a perturbation that interchanges the energy ordering of the spin-rotation components.

Original language	English
Pages (from-to)	10547-10553
Number of pages	7
Journal	Journal of Physical Chemistry A
Volume	109
Issue number	46
DOIs	https://doi.org/10.1021/jp054228q
Publication status	Published - 24 Nov 2005

Keywords

PURE ROTATIONAL SPECTRUM
LASER EXCITATION SPECTROSCOPY
DENSITY-FUNCTIONAL THEORY
AB-INITIO-CI
GAS-PHASE
BOND-ENERGIES
VIBRATIONAL FREQUENCIES
ELECTRONIC SPECTROSCOPY
SUBMILLIMETER SPECTRUM
MONOMETHYL CALCIUM

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10.1021/jp054228q

Cite this

@article{11773ffebf4847fcabe09e594e62da6a,

title = "High-resolution spectroscopic investigation of the (B)over-bar(2)A(1)-(X)over-bar(2)A(1) transitions of CaCH3 and SrCH3",

abstract = "High-resolution spectra of the B ($) over tilde (2)A(1) - X ($) over tildeA(1) transitions of CaCH3 and SrCH3 have been recorded in a molecular jet/laser ablation source using laser excitation spectroscopy. Transitions arising from the K = 0 and I sub-bands have been observed for both molecules. An analysis of the data using a (2)A(1) symmetric top Hamiltonian has determined rotational and spin-rotation constants for the B ($) over tilde (2)A(1) state of each molecule. From the rotational constants, structures have been estimated for both CaCH3 and SrCH3. The spin-rotation constant, is an element of(bc) = (is an element of(bb) + is an element of(cc))/2, in the B ($) over tilde (2)A(1) state for both molecules is in reasonable agreement with the value calculated using the pure precession approximation. For CaCH3, the K' = 1 levels of the B ($) over tilde (2)A(1) state exhibit a perturbation that interchanges the energy ordering of the spin-rotation components.",

keywords = "PURE ROTATIONAL SPECTRUM, LASER EXCITATION SPECTROSCOPY, DENSITY-FUNCTIONAL THEORY, AB-INITIO-CI, GAS-PHASE, BOND-ENERGIES, VIBRATIONAL FREQUENCIES, ELECTRONIC SPECTROSCOPY, SUBMILLIMETER SPECTRUM, MONOMETHYL CALCIUM",

author = "Sheridan, {P M} and Dick, {M J} and Wang, {J G} and Bernath, {P F}",

year = "2005",

month = nov,

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doi = "10.1021/jp054228q",

language = "English",

volume = "109",

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journal = "Journal of Physical Chemistry A",

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T1 - High-resolution spectroscopic investigation of the (B)over-bar(2)A(1)-(X)over-bar(2)A(1) transitions of CaCH3 and SrCH3

AU - Sheridan, P M

AU - Dick, M J

AU - Wang, J G

AU - Bernath, P F

PY - 2005/11/24

Y1 - 2005/11/24

N2 - High-resolution spectra of the B ($) over tilde (2)A(1) - X ($) over tildeA(1) transitions of CaCH3 and SrCH3 have been recorded in a molecular jet/laser ablation source using laser excitation spectroscopy. Transitions arising from the K = 0 and I sub-bands have been observed for both molecules. An analysis of the data using a (2)A(1) symmetric top Hamiltonian has determined rotational and spin-rotation constants for the B ($) over tilde (2)A(1) state of each molecule. From the rotational constants, structures have been estimated for both CaCH3 and SrCH3. The spin-rotation constant, is an element of(bc) = (is an element of(bb) + is an element of(cc))/2, in the B ($) over tilde (2)A(1) state for both molecules is in reasonable agreement with the value calculated using the pure precession approximation. For CaCH3, the K' = 1 levels of the B ($) over tilde (2)A(1) state exhibit a perturbation that interchanges the energy ordering of the spin-rotation components.

AB - High-resolution spectra of the B ($) over tilde (2)A(1) - X ($) over tildeA(1) transitions of CaCH3 and SrCH3 have been recorded in a molecular jet/laser ablation source using laser excitation spectroscopy. Transitions arising from the K = 0 and I sub-bands have been observed for both molecules. An analysis of the data using a (2)A(1) symmetric top Hamiltonian has determined rotational and spin-rotation constants for the B ($) over tilde (2)A(1) state of each molecule. From the rotational constants, structures have been estimated for both CaCH3 and SrCH3. The spin-rotation constant, is an element of(bc) = (is an element of(bb) + is an element of(cc))/2, in the B ($) over tilde (2)A(1) state for both molecules is in reasonable agreement with the value calculated using the pure precession approximation. For CaCH3, the K' = 1 levels of the B ($) over tilde (2)A(1) state exhibit a perturbation that interchanges the energy ordering of the spin-rotation components.

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KW - LASER EXCITATION SPECTROSCOPY

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KW - VIBRATIONAL FREQUENCIES

KW - ELECTRONIC SPECTROSCOPY

KW - SUBMILLIMETER SPECTRUM

KW - MONOMETHYL CALCIUM

U2 - 10.1021/jp054228q

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