Hyperfine Interactions and Electric Dipole Moments in the [16.0]1.5(v = 6), [16.0]3.5(v = 7), and X2螖5/2 States of Iridium Monosilicide, IrSi

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• 作者：Anh Le ; Timothy C. Steimle ; Michael D. Morse ; Maria A. Garcia ; Lan Cheng ; John F. Stanton
• 刊名：Journal of Physical Chemistry A
• 出版年：2013
• 出版时间：December 19, 2013
• 年：2013
• 卷：117
• 期：50
• 页码：13292-13302
• 全文大小：530K
• 年卷期：v.117,no.50(December 19, 2013)
• ISSN：1520-5215

文摘

The (6,0)[16.0]1.5鈥揦²螖_5/2 and (7,0)[16.0]3.5鈥揦²螖_5/2 bands of IrSi have been recorded using high-resolution laser-induced fluorescence spectroscopy. The field-free spectra of the ¹⁹¹IrSi and ¹⁹³IrSi isotopologues were modeled to generate a set of fine, magnetic hyperfine, and nuclear quadrupole hyperfine parameters for the X²螖_5/2(v = 0), [16.0]1.5(v = 6), and [16.0]3.5 (v = 7) states. The observed optical Stark shifts for the ¹⁹³IrSi and ¹⁹¹IrSi isotopologues were analyzed to produce the permanent electric dipole moments, 渭_el, of 鈭?.414(6) D and 0.782(6) D for the X²螖_5/2 and [16.0]1.5 (v = 6) states, respectively. Properties of the X²螖_5/2 state computed using relativistic coupled-cluster methods clearly indicate that electron correlation plays an essential role. Specifically, inclusion of correlation changes the sign of the dipole moment and is essential for achieving good accuracy for the nuclear quadrupole coupling parameter eQq₀.