Optical Stark spectroscopy of the B̃ 1A″(000) X̃1A′(000) system of copper hydroxide

Fang Wang; Timothy C. Steimle

doi:10.1063/1.3517057

Optical Stark spectroscopy of the B̃ ¹A″(000) X̃¹A′(000) system of copper hydroxide

Fang Wang, Timothy C. Steimle

Molecular Sciences, School of (SMS)

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

1 Scopus citations

Abstract

The B¹ A ″ (000)↔ X¹ A ′ (000) band system of a cold beam of CuOH has been studied field-free and in the presence of a static electric field. The Stark tuning of the low-J levels of the X ¹ A ′ (000) state were analyzed to give a value of 3.968(32) D for the a-component of the permanent electric dipole moment, _a. An upper limit of 0.3 D for _a(B¹ A ″) is established from the lack of observable Stark tuning for the low-J levels of the B ¹ A ″ (000) state. The experimental value for _a(X¹ A ′) is compared to theoretical predictions and other Cu-containing molecules. A molecular orbital correlation diagram is used to rationalize the large change in _a upon excitation. The electronegativity of OH was determined to be 2.81 from a comparison of the determined _a with the experimental values for CuF, CuO, and CuS.

Original language	English (US)
Article number	014303
Journal	Journal of Chemical Physics
Volume	134
Issue number	1
DOIs	https://doi.org/10.1063/1.3517057
State	Published - Jan 7 2011

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.3517057

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@article{8d004b8a2000464b812ef2a93ce81734,

title = "Optical Stark spectroscopy of the {\~B} 1A″(000) {\~X}1A′(000) system of copper hydroxide",

abstract = "The B1 A ″ (000)↔ X1 A ′ (000) band system of a cold beam of CuOH has been studied field-free and in the presence of a static electric field. The Stark tuning of the low-J levels of the X 1 A ′ (000) state were analyzed to give a value of 3.968(32) D for the a-component of the permanent electric dipole moment, a. An upper limit of 0.3 D for a(B1 A ″) is established from the lack of observable Stark tuning for the low-J levels of the B 1 A ″ (000) state. The experimental value for a(X1 A ′) is compared to theoretical predictions and other Cu-containing molecules. A molecular orbital correlation diagram is used to rationalize the large change in a upon excitation. The electronegativity of OH was determined to be 2.81 from a comparison of the determined a with the experimental values for CuF, CuO, and CuS.",

author = "Fang Wang and Steimle, {Timothy C.}",

note = "Funding Information: This research has been supported by the National Science Foundation-Experimental Physical Chemistry (Grant No. 0646473) and the Petroleum Research Fund (ACS PRF No. 47059-AC6). We thank Dr. Xiujuan Zhuang for her assistance in recording the spectra.",

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doi = "10.1063/1.3517057",

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AU - Wang, Fang

AU - Steimle, Timothy C.

N1 - Funding Information: This research has been supported by the National Science Foundation-Experimental Physical Chemistry (Grant No. 0646473) and the Petroleum Research Fund (ACS PRF No. 47059-AC6). We thank Dr. Xiujuan Zhuang for her assistance in recording the spectra.

PY - 2011/1/7

Y1 - 2011/1/7

N2 - The B1 A ″ (000)↔ X1 A ′ (000) band system of a cold beam of CuOH has been studied field-free and in the presence of a static electric field. The Stark tuning of the low-J levels of the X 1 A ′ (000) state were analyzed to give a value of 3.968(32) D for the a-component of the permanent electric dipole moment, a. An upper limit of 0.3 D for a(B1 A ″) is established from the lack of observable Stark tuning for the low-J levels of the B 1 A ″ (000) state. The experimental value for a(X1 A ′) is compared to theoretical predictions and other Cu-containing molecules. A molecular orbital correlation diagram is used to rationalize the large change in a upon excitation. The electronegativity of OH was determined to be 2.81 from a comparison of the determined a with the experimental values for CuF, CuO, and CuS.

AB - The B1 A ″ (000)↔ X1 A ′ (000) band system of a cold beam of CuOH has been studied field-free and in the presence of a static electric field. The Stark tuning of the low-J levels of the X 1 A ′ (000) state were analyzed to give a value of 3.968(32) D for the a-component of the permanent electric dipole moment, a. An upper limit of 0.3 D for a(B1 A ″) is established from the lack of observable Stark tuning for the low-J levels of the B 1 A ″ (000) state. The experimental value for a(X1 A ′) is compared to theoretical predictions and other Cu-containing molecules. A molecular orbital correlation diagram is used to rationalize the large change in a upon excitation. The electronegativity of OH was determined to be 2.81 from a comparison of the determined a with the experimental values for CuF, CuO, and CuS.

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Optical Stark spectroscopy of the B̃ ¹A″(000) X̃¹A′(000) system of copper hydroxide

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