Comparison of the permanent electric dipole moments of ZrS and TiS

Robert R. Bousquet; Kei Ichi C Namiki; Timothy Steimle

doi:10.1063/1.481943

Comparison of the permanent electric dipole moments of ZrS and TiS

Robert R. Bousquet, Kei Ichi C Namiki, Timothy Steimle

Molecular Sciences, School of (SMS)

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

14 Scopus citations

Abstract

The simple, single configuration, molecular orbital diagram was used to qualitatively predict the observed trends in the values of μ/r₀ for early transition metal oxides and sulfides. The trends in μ/r₀ in going across the Group 3 to Group 5 monoxides were explained without invoking a significant np metal centered atomic orbital contribution.

Original language	English (US)
Pages (from-to)	1566-1574
Number of pages	9
Journal	Journal of Chemical Physics
Volume	113
Issue number	4
DOIs	https://doi.org/10.1063/1.481943
State	Published - Jul 2000

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1063/1.481943

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title = "Comparison of the permanent electric dipole moments of ZrS and TiS",

abstract = "The simple, single configuration, molecular orbital diagram was used to qualitatively predict the observed trends in the values of μ/r0 for early transition metal oxides and sulfides. The trends in μ/r0 in going across the Group 3 to Group 5 monoxides were explained without invoking a significant np metal centered atomic orbital contribution.",

author = "Bousquet, {Robert R.} and Namiki, {Kei Ichi C} and Timothy Steimle",

year = "2000",

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AU - Bousquet, Robert R.

AU - Namiki, Kei Ichi C

AU - Steimle, Timothy

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Y1 - 2000/7

N2 - The simple, single configuration, molecular orbital diagram was used to qualitatively predict the observed trends in the values of μ/r0 for early transition metal oxides and sulfides. The trends in μ/r0 in going across the Group 3 to Group 5 monoxides were explained without invoking a significant np metal centered atomic orbital contribution.

AB - The simple, single configuration, molecular orbital diagram was used to qualitatively predict the observed trends in the values of μ/r0 for early transition metal oxides and sulfides. The trends in μ/r0 in going across the Group 3 to Group 5 monoxides were explained without invoking a significant np metal centered atomic orbital contribution.

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JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

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Comparison of the permanent electric dipole moments of ZrS and TiS

Abstract

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