THE PERMANENT ELECTRIC DIPOLE MOMENT OF CaD
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Date
2007
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Publisher
Ohio State University
Abstract
In 2004 we determined from the analysis of the Stark effect in the A$^2\Pi - X$^2\Sigma^+$ (0,0) band of system the magnitude of the permanent electric dipole moment, $\vert\mu\vert$, of CaH to be 2.94(16) D and 2.372(12)D for the X$^2\Sigma^2$ (v=0) and A$^2\Pi$(v=0) states,respectively} \textbf{121}, 829-834(2004).}. The numbers in parenthesis are 1$\sigma$ error estimates. Recently, two groups have performed high-level, all-electron, { \it ab initio} calculation and predicted $\mu$ values of 2.623 D} \textbf{426}, 252(2006).} and 2.617 D}\textbf{111}, 371(2007).} for the X$^2\Sigma^+$(v=0) state. Although inside a 2$\sigma$ error estimate, these values are somewhat smaller than the experimentally observed value. In an effort to improve the precision of $\vert\mu\vert$, the Stark effect in the B$^2\Sigma^+$ - X$^2\Sigma^+$ (0,0) band system of CaD has been recorded and analyzed. As expected, the Stark effect is about four times larger in CaD compared to CaH. The analysis gives $\vert\mu\vert$ of 2.633(27) D and 2.018(33) D for the X$^2\Sigma^+$(v=0) and B$^2\Sigma^+$(v=0) state, respectively. A discussion of the isotopic dependence of $\mu$ and experimental systematic errors will be given. The trend in $\mu$ for the X$^2\Sigma^+$, A$^2\Pi$ and B$^2\Sigma^+$ is modeled using a simple molecular orbital picture.
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Author Institution: Department of Chemistry and Biochemistry, Arizona State University, Tempe, AZ 85287