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首页> 外文期刊>The Journal of Chemical Physics >Characterization of the [18.28]0(-)-a(3)Delta(1) (0,0) band of tantalum nitride, TaN
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Characterization of the [18.28]0(-)-a(3)Delta(1) (0,0) band of tantalum nitride, TaN

机译：表征[18.28] 0（ - ） - a（3）Δ（1）（0,0）钽条带，棕褐色

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摘要

The [18.28]0(-)-a(3)Delta(1) (0,0) band near 647 nm of tantalum nitride, TaN, has been recorded and analyzed field-free and in the presence of static electric and magnetic fields. The fine and hyperfine parameters for the a(3)Delta(1) and [18.28]0(-) states are determined. The Ta-181(I = 7/2) axial nuclear electric quadrupole coupling constant, eQq(0), and the effective magnetic hyperfine coupling constant, h(1), are used to garner insight into the nature of electronic states. The Stark tuning of the P(2) and Q(1) lines was analyzed to determine the molecular frame permanent electric dipole moment, (mu) over right arrow (el), for the a(3)Delta(1) state of 4.49 +/- 0.09 D. The Zeeman effect on the P(1) line was analyzed to determine an upper limit of the magnetic moment, (mu) over right arrow (m), for the a(3)Delta(1) state. Scalar-relativistic coupled-cluster calculations for eQq0 and (mu) over right arrow (el) of the a(3)Delta(1) state are also reported and compared with experimental results. The determined properties are compared with the predicted values and the implication of the proposed scheme for determination of the 181Ta magnetic quadrupole moment is discussed. Published by AIP Publishing.
机译：[18.28] 0（ - ） - a（3）Δ（0,0）在氮化人，棕褐色钽中接近647nm的频带，已经在静电和磁场的存在下进行了记录和分析。确定A（3）Δ（1）和[18.28] 0（ - ）状态的细小和高浓度参数。 TA-181（I = 7/2）轴向核电四轴耦合常数，EQQ（0）和有效的磁性高浓掺杂常数H（1），用于Garner Insight进入电子状态的性质。分析P（2）和Q（1）条线的STARK调整以确定右箭头（EL）的分子框架永久电偶极力矩，（mu），用于4.49的A（3）Δ（1）状态+/- 0.09 D.分析了对P（1）线的Zeeman效应以确定右箭头（m）的磁矩的上限，用于A（3）Δ（1）状态。还报告了A（3）Δ（1）状态的右箭头（EL）的标量相对论的耦合簇计算，并与实验结果进行比较。将确定的属性与预测值进行比较，并且讨论了所提出的方案来确定用于确定181TA磁性四极矩阵的含义。通过AIP发布发布。

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