Pure rotational spectrum of CaCH3(X̃2A1) using the pump/probe microwave-optical double resonance (PPMODR) technique

Kei Ichi C Namiki; Timothy Steimle

doi:10.1063/1.479071

Pure rotational spectrum of CaCH₃(X̃²A₁) using the pump/probe microwave-optical double resonance (PPMODR) technique

Kei Ichi C Namiki, Timothy Steimle

CLAS-NS: Molecular Sciences, School of (SMS)

Research output: Contribution to journal › Article

6 Scopus citations

Abstract

The pure rotational spectrum of calcium monomethyl, CaCH₃(X̃²A₁), was recorded using the pump/probe microwave-optical double resonance (PPMODR) technique. The determined Fermi contact and dipolar parameters are: a_F = -1.965(11) and T_aa = 2.180(18) MHz. The spin-rotation parameters are: ε_aa = 6.702(49) and (ε_bb + ε_cc)/2 = 55.5730(27) MHz. The mm-wave data [M. A. Anderson and L. M. Ziurys, Astrophys. J. 460, L77 (1996)] were reanalyzed to produce a set of fine structure parameters that are consistent with the PPMODR values and for which the standard deviation of the mm-wave data set is greatly reduced. A global fit of the two sets of data was performed to give an improved set of fine and hyperfine parameters for the X̃²A₁ state. The negative value for a_F is inconsistent with a simple σ-bond spin polarization model. A comparison among calcium containing molecules is made using hyperfine and spin-rotation parameters.

Original language	English (US)
Pages (from-to)	11309-11314
Number of pages	6
Journal	Journal of Chemical Physics
Volume	110
Issue number	23
DOIs	https://doi.org/10.1063/1.479071
State	Published - Jun 15 1999

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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Namiki, K. I. C., & Steimle, T. (1999). Pure rotational spectrum of CaCH₃(X̃²A₁) using the pump/probe microwave-optical double resonance (PPMODR) technique. Journal of Chemical Physics, 110(23), 11309-11314. https://doi.org/10.1063/1.479071

@article{0acf3c16073d4c178b71e42acdee79a6,

title = "Pure rotational spectrum of CaCH3({\~X}2A1) using the pump/probe microwave-optical double resonance (PPMODR) technique",

abstract = "The pure rotational spectrum of calcium monomethyl, CaCH3({\~X}2A1), was recorded using the pump/probe microwave-optical double resonance (PPMODR) technique. The determined Fermi contact and dipolar parameters are: aF = -1.965(11) and Taa = 2.180(18) MHz. The spin-rotation parameters are: εaa = 6.702(49) and (εbb + εcc)/2 = 55.5730(27) MHz. The mm-wave data [M. A. Anderson and L. M. Ziurys, Astrophys. J. 460, L77 (1996)] were reanalyzed to produce a set of fine structure parameters that are consistent with the PPMODR values and for which the standard deviation of the mm-wave data set is greatly reduced. A global fit of the two sets of data was performed to give an improved set of fine and hyperfine parameters for the {\~X}2A1 state. The negative value for aF is inconsistent with a simple σ-bond spin polarization model. A comparison among calcium containing molecules is made using hyperfine and spin-rotation parameters.",

author = "Namiki, {Kei Ichi C} and Timothy Steimle",

year = "1999",

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doi = "10.1063/1.479071",

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AU - Namiki, Kei Ichi C

AU - Steimle, Timothy

PY - 1999/6/15

Y1 - 1999/6/15

N2 - The pure rotational spectrum of calcium monomethyl, CaCH3(X̃2A1), was recorded using the pump/probe microwave-optical double resonance (PPMODR) technique. The determined Fermi contact and dipolar parameters are: aF = -1.965(11) and Taa = 2.180(18) MHz. The spin-rotation parameters are: εaa = 6.702(49) and (εbb + εcc)/2 = 55.5730(27) MHz. The mm-wave data [M. A. Anderson and L. M. Ziurys, Astrophys. J. 460, L77 (1996)] were reanalyzed to produce a set of fine structure parameters that are consistent with the PPMODR values and for which the standard deviation of the mm-wave data set is greatly reduced. A global fit of the two sets of data was performed to give an improved set of fine and hyperfine parameters for the X̃2A1 state. The negative value for aF is inconsistent with a simple σ-bond spin polarization model. A comparison among calcium containing molecules is made using hyperfine and spin-rotation parameters.

AB - The pure rotational spectrum of calcium monomethyl, CaCH3(X̃2A1), was recorded using the pump/probe microwave-optical double resonance (PPMODR) technique. The determined Fermi contact and dipolar parameters are: aF = -1.965(11) and Taa = 2.180(18) MHz. The spin-rotation parameters are: εaa = 6.702(49) and (εbb + εcc)/2 = 55.5730(27) MHz. The mm-wave data [M. A. Anderson and L. M. Ziurys, Astrophys. J. 460, L77 (1996)] were reanalyzed to produce a set of fine structure parameters that are consistent with the PPMODR values and for which the standard deviation of the mm-wave data set is greatly reduced. A global fit of the two sets of data was performed to give an improved set of fine and hyperfine parameters for the X̃2A1 state. The negative value for aF is inconsistent with a simple σ-bond spin polarization model. A comparison among calcium containing molecules is made using hyperfine and spin-rotation parameters.

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