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首页> 外文期刊>Chinese physics letters >Franck-condon factors and r-centroids for the A(1)Sigma(+)(u)-X-1 Sigma(+)(g) band system of Ag-107,109(2): Comparison of the observed and calculated absorption band strengths
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Franck-condon factors and r-centroids for the A(1)Sigma(+)(u)-X-1 Sigma(+)(g) band system of Ag-107,109(2): Comparison of the observed and calculated absorption band strengths

机译：Ag-107,109（2）的A（1）Sigma（+）（u）-X-1 Sigma（+）（g）谱带系统的Franck-condon因子和r-形心：比较观察到的吸收带和计算得出的吸收带长处

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摘要

Franck-Condon factors and r-centroids for A1 Sigma(+)(u)-X Sigma(+)(g) band system of Ag-107,109(2) are computed using Morse and Rydberg-Klein-Rees potentials for both lower and upper electronic states. The differences between the two sets of results are typically in the third decimal place for transitions involving vibrational levels with v' and v'' up to about 15. Somewhat larger deviations appear for higher vibrational levels, but noth sets of results follow the same pattern, which is to match well with the relative absorption band strength distribution in our experimental spectrum. The relative absorption band strengths are calculated by assuming that the electronic transition moment has only a weak dependence on the internuclear distance r. Good agreement between our measured and calculated adsorption band strength ratios is found, which provides an excellent test of the calculated Franck-Condon factors and relative absorption bands strengths. The r-centroid value for the (v' = 0, v'' = 0) band is found to be approximately equal to the average value r'(c) and r''(c), indicating that the potentials of both states are not significantly anharmonic around minimum regions.
机译：使用Morse和Rydberg-Klein-Rees电势分别计算Ag-107,109（2）的A1 Sigma（+）（u）-X Sigma（+）（g）带系统的Franck-Condon因子和r重心上层电子状态。两组结果之间的差异通常在v'和v''高达约15的振动水平的跃迁中位于小数点后三位。较高振动水平出现的偏差更大一些，但是其他结果却遵循相同的模式，这与我们实验光谱中的相对吸收带强度分布非常匹配。相对吸收带强度是通过假设电子跃迁矩对核间距离r的依赖性很弱来计算的。发现我们的测量和计算的吸收带强度比之间有很好的一致性，这为计算的弗兰克-康登因子和相对吸收带强度提供了极好的测试。发现（v'= 0，v''= 0）谱带的r重心值近似等于平均值​​r'（c）和r''（c），表明两种状态的电势在最小区域周围没有明显的非谐。

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