Dunham coefficients for seven isotopic species of CO
Dunham coefficients for seven isotopic species of CO
复制标题
CO 七种同位素的邓纳姆系数
DOI：
10.1016/0022-2852(83)90203-5
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发表时间：
1983
影响因子：
1.4
通讯作者：
J. Vergès
中科院分区：
文献类型：
--
作者：
G. Guelachvili;D. Villeneuve;R. Farrenq;W. Urban;J. Vergès
本文报道了CO在fundamental1Σ+电子态下的振动-旋转谱。利用高信息傅里叶变换干涉仪在序列Δv= 1,2,3上获得了12c16o、12C18O、13C16O和13c18o的255个波段约8500个多普勒受限测量值，其中大多数是首次观测到。最高的数值分别是41和93。实验振动水平可以很好地观察到解离能极限的四分之三。这些精确的红外波数，加上之前所有测量结果的附加选择集，已同时在涵盖七种不同同位素的加权非线性最小二乘计算中拟合到Dunham表达式中。它显著提高了以前最好的工作（35个而不是23个）所获得的参数数量（u和Δ）及其相应的标准差。拟合的均方根等于13 × 10−6cm−1（390 KHz）。从35个简化的邓纳姆系数和质量标度系数中计算出的波数可以用作次级标准，即使对于涉及各种同位素的高j值的转变也是如此。这些新参数将为红外激光谱线的分配和天文光谱中微波和红外跃迁的识别提供方便和有用的工具。Dunham系数也报道了12c16o、12C17O、12C18O、13C16O、13C17O、13C18O和14c16o。这些精确的实验结果对于进一步研究势能和偶极矩公式也很有用。
An extensive work on vibration-rotation spectra in the fundamental1Σ+electronic state of CO is reported. More than 30 000 Doppler-limited measurements corresponding to about 8500 transitions of 255 bands of12C16O,12C18O,13C16O, and13C18O, most of them observed for the first time, have been obtained with a high information Fourier transform interferometer on the sequences Δv= 1, 2, and 3. The highestvandJvalues are 41 and 93, respectively. Experimental vibrational levels are then well observed up to three fourths of the dissociation energy limit. These accurate infrared wavenumbers, with an additional selected set of all previous measurements, have been simultaneously fitted to the Dunham expression in a weighted nonlinear least-squares calculation covering seven different isotopic species. It significantly improves both the number of parameters (Uand Δ) obtained by the best previous work (35 instead of 23) and their corresponding standard deviations. The rms of the fit is equal to 13 × 10−6cm−1(390 KHz). Calculated wavenumbers from the 35 reduced Dunham and mass-scaling coefficients can then be used as secondary standards, even for transitions involving highvandJvalues of the various isotopic species. These new parameters should be a convenient and useful tool for several purposes, such as assignment of infrared laser lines and identification of microwave and infrared transitions in astronomical spectra. The Dunham coefficientsYare also reported for12C16O,12C17O,12C18O,13C16O,13C17O,13C18O, and14C16O. These experimentally determined accurateYshould also be useful for further examination of the potential energy and dipole moment formulations.