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The 7–0 Overtone Spectrum of HCl
Journal of Molecular Spectroscopy ( IF 1.4 ) Pub Date : 2001-06-01 , DOI: 10.1006/jmsp.2001.8348
R. S. Ram 1 , P. F. Bernath
Affiliation  

of The ground state potential energy function of HCl plays an important ro molecular physics and chemical dynamics. HCl is a popular target molecu the testing ofab initio methods and the potential is useful in the interpreta of a variety of experiments ranging from femtosecond dynamics to the stu product distributions in chemical reactions. Recent experimental work on H cludes the refinement of the dissociation energy D0(HCl) = 35 748.2(8) cm−1 by threshold ion-pair production spectroscopy ( 1) and the measurement of ne submillimeter-wave pure rotational line positions ( 2, 3). Coxon and Hajigeorgiou (4) have fitted all of the available HCl and DCl ground state data using a pa eterized potential energy function and Parekunnel et al. (5) have determined new set of Dunham constants for low vibrational levels of HCl and DCl. Bot these papers also determined corrections needed to account for the brea of the Born–Oppenheimer approximation. The experimental ground state potential ( 4) is determined from two type of data: low-v data (from pure rotation and vibration–rotation transitions) high-v data (from theB16+–X16+ electronic transition). The lowv data end atv = 3 (from the 3–2 band) from the emission lines of LeBlanc et al. (6) with a precision of about 0 . 002 cm−1 andv = 6 (from the 6–5 band) from Clayto et al. (7) with a precision of about 0 . 025 cm−1. The high-v data cover the rang from v = 7 to 17 with a large number of bands in the B16+–X16+ transition with a precision of 0.025 cm−1. Thev = 17 level lies about 1450 cm −1 from the dissociation limit ( 4). Unfortunately the lowv and highv data do not connec although the entire data set can be fitted with a parameterized potential fu (4). There is a gap in the data between v = 0–6 andv = 7–17 because the high v data are known with respect to v′ = 0 of the B16+ state, notv′′ = 0 of the X16+ state. During a recent visit to the National Solar Observatory we noticed tha necessary measurements to put the highv data on the same energy scale as low-v data have already been made, but the line positions were never pub In two papers, the 4–0, 5–0, 6–0, and 7–0 overtone bands were analy determine the self-pressure-broadening coefficients ( 8) and the linestrengths ( 9). We have, therefore, measured the 7–0 band and report here on the line po

中文翻译:

HCl 的 7-0 泛音谱

HCl 的基态势能函数在分子物理和化学动力学中起着重要的作用。HCl 是一种流行的目标分子,可用于从头开始测试方法,其潜力可用于解释从飞秒动力学到化学反应中的 stu 产物分布的各种实验。最近关于 H 的实验工作包括通过阈值离子对产生光谱 (1) 和测量 ne 亚毫米波纯旋转线位置 (2, 3)。Coxon 和 Hajigeorgiou (4) 使用参数化势能函数拟合了所有可用的 HCl 和 DCl 基态数据,Parekunnel 等人。(5) 已经为 HCl 和 DCl 的低振动水平确定了一组新的 Dunham 常数。这些论文还确定了解释 Born-Oppenheimer 近似值所需的修正。实验基态电位 (4) 由两种类型的数据确定:低 v 数据(来自纯旋转和振动-旋转跃迁)高 v 数据(来自 B16+–X16+ 电子跃迁)。来自 LeBlanc 等人的发射线的 lowv 数据结束 atv = 3(来自 3-2 波段)。(6) 精度约为 0 。002 cm−1 andv = 6(来自 Clayto 等人的 6-5 波段)。(7) 精度约为 0 。025 厘米-1。高 v 数据覆盖了从 v = 7 到 17 的范围,在 B16+–X16+ 跃迁中有大量带,精度为 0.025 cm-1。v = 17 水平位于离解离极限 (4) 约 1450 cm -1 处。不幸的是,lowv 和 highv 数据并没有联系起来,尽管整个数据集可以用参数化的潜在 fu (4) 拟合。v = 0-6 和 v = 7-17 之间的数据存在差距,因为高 v 数据对于 B16+ 状态的 v' = 0 是已知的,而不是 X16+ 状态的 v'' = 0。在最近访问国家太阳天文台期间,我们注意到已经进行了必要的测量以将高 v 数据置于与低 v 数据相同的能量标度,但线位置从未公开在两篇论文中,4-0, 5-0、6-0和7-0泛音带被分析确定自压展宽系数(8)和线强度(9)。因此,我们测量了 7-0 波段并在 po 线上报告 v = 0-6 和 v = 7-17 之间的数据存在差距,因为高 v 数据对于 B16+ 状态的 v' = 0 是已知的,而不是 X16+ 状态的 v'' = 0。在最近访问国家太阳天文台期间,我们注意到已经进行了必要的测量以将高 v 数据置于与低 v 数据相同的能量标度,但线位置从未公开在两篇论文中,4-0, 5-0、6-0和7-0泛音带被分析确定自压展宽系数(8)和线强度(9)。因此,我们测量了 7-0 波段并在 po 线上报告 v = 0–6 和 v = 7–17 之间的数据存在差距,因为高 v 数据对于 B16+ 状态的 v' = 0 是已知的,而不是 X16+ 状态的 v'' = 0。在最近一次访问国家太阳天文台期间,我们注意到已经进行了必要的测量,以便将高 v 数据与低 v 数据置于相同的能量标度,但线位置从未公开在两篇论文中,4-0, 5-0、6-0和7-0泛音带被分析确定自压展宽系数(8)和线强度(9)。因此,我们测量了 7-0 波段并在 po 线上报告 但线条位置从未公开 在两篇论文中,4-0、5-0、6-0 和 7-0 泛音带被分析确定了自压展宽系数 (8) 和线强度 (9)。因此,我们测量了 7-0 波段并在 po 线上报告 但线条位置从未公开 在两篇论文中,4-0、5-0、6-0 和 7-0 泛音带被分析确定了自压展宽系数 (8) 和线强度 (9)。因此,我们测量了 7-0 波段并在 po 线上报告
更新日期:2001-06-01
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