Permanent electric dipole moment of molybdenum carbide

Hailing Wang; Wilton L. Virgo; Jinhai Chen; Timothy Steimle

doi:10.1063/1.2778427

Permanent electric dipole moment of molybdenum carbide

Hailing Wang, Wilton L. Virgo, Jinhai Chen, Timothy Steimle

Molecular Sciences, School of (SMS)

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

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Abstract

High resolution optical spectroscopy has been used to study a molecular beam of molybdenum monocarbide (MoC). The Stark effect of the Re (0) and Qfe (1) branch features of the [18.6] Π13 -X -3 (0,0) band system of Mo98 C were analyzed to determine the permanent electric dipole moments μe of 2.68(2) and 6.07 (18) D for the [18.6] Π13 (=0) and X -3 (=0) states, respectively. The dipole moments are compared with the experimental value for ruthenium monocarbide [T. C. Steimle, J. Chem. Phys. 118, 2620 (2003)] and with theoretical predictions. A molecular orbital correlation diagram is used to interpret the observed and predicted trends of ground state μe values for the 4d -metal monocarbides series.

Original language	English (US)
Article number	124302
Journal	Journal of Chemical Physics
Volume	127
Issue number	12
DOIs	https://doi.org/10.1063/1.2778427
State	Published - Oct 5 2007

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.2778427

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abstract = "High resolution optical spectroscopy has been used to study a molecular beam of molybdenum monocarbide (MoC). The Stark effect of the Re (0) and Qfe (1) branch features of the [18.6] Π13 -X -3 (0,0) band system of Mo98 C were analyzed to determine the permanent electric dipole moments μe of 2.68(2) and 6.07 (18) D for the [18.6] Π13 (=0) and X -3 (=0) states, respectively. The dipole moments are compared with the experimental value for ruthenium monocarbide [T. C. Steimle, J. Chem. Phys. 118, 2620 (2003)] and with theoretical predictions. A molecular orbital correlation diagram is used to interpret the observed and predicted trends of ground state μe values for the 4d -metal monocarbides series.",

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T1 - Permanent electric dipole moment of molybdenum carbide

AU - Wang, Hailing

AU - Virgo, Wilton L.

AU - Chen, Jinhai

AU - Steimle, Timothy

PY - 2007/10/5

Y1 - 2007/10/5

N2 - High resolution optical spectroscopy has been used to study a molecular beam of molybdenum monocarbide (MoC). The Stark effect of the Re (0) and Qfe (1) branch features of the [18.6] Π13 -X -3 (0,0) band system of Mo98 C were analyzed to determine the permanent electric dipole moments μe of 2.68(2) and 6.07 (18) D for the [18.6] Π13 (=0) and X -3 (=0) states, respectively. The dipole moments are compared with the experimental value for ruthenium monocarbide [T. C. Steimle, J. Chem. Phys. 118, 2620 (2003)] and with theoretical predictions. A molecular orbital correlation diagram is used to interpret the observed and predicted trends of ground state μe values for the 4d -metal monocarbides series.

AB - High resolution optical spectroscopy has been used to study a molecular beam of molybdenum monocarbide (MoC). The Stark effect of the Re (0) and Qfe (1) branch features of the [18.6] Π13 -X -3 (0,0) band system of Mo98 C were analyzed to determine the permanent electric dipole moments μe of 2.68(2) and 6.07 (18) D for the [18.6] Π13 (=0) and X -3 (=0) states, respectively. The dipole moments are compared with the experimental value for ruthenium monocarbide [T. C. Steimle, J. Chem. Phys. 118, 2620 (2003)] and with theoretical predictions. A molecular orbital correlation diagram is used to interpret the observed and predicted trends of ground state μe values for the 4d -metal monocarbides series.

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Permanent electric dipole moment of molybdenum carbide

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