H218O至第一三元组和J = 20的线位置和线强度模型

IF 4.4 2区 工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY
L. Coudert, S. Mikhailenko, A. Campargue, G. Mellau
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引用次数: 1

摘要

对水分子的H218O同位素进行了线位和线强度分析。这两个数据集都涉及5个最低的振动状态。对于线位置分析,数据集包括使用高温傅里叶变换发射光谱记录的红外和远红外跃迁。还包括已经公布的红外,远红外,微波,太赫兹,多普勒无组合差异,和千赫精度线。采用弯曲-旋转方法进行拟合,使我们能够重现12858条线位置,涉及J≤20和Ka≤18的水平,无单位标准差为1.9,改变207个光谱参数。对于谱线强度分析,除了先前测量的谱线强度外,本文还使用傅里叶变换光谱测量了远红外谱线强度。5612线强度的无单位标准差为1.5。这两种分析的结果用于建立大气目的的谱线列表,涵盖2-5000 cm−1光谱范围,包含7593条谱线。该线表以及计算的能量和线强度与已发表的线表进行了比较。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Line Position and Line Intensity Modelings of H218O up to the First Triad and J = 20
Line position and line intensity analyses are carried out for the H218O isotopic species of the water molecule. Both datasets involve the five lowest lying vibrational states. For the line position analysis, the dataset includes infrared and far infrared transitions recorded in this work using high-temperature Fourier transform emission spectroscopy. Also included are already published infrared, far infrared, microwave, terahertz, Doppler-free combination differences, and kHz accuracy lines. The fitting is carried out with the bending–rotation approach and allows us to reproduce 12 858 line positions involving levels with J ≤ 20 and Ka ≤ 18, with a unitless standard deviation of 1.9, varying 207 spectroscopic parameters. For the line intensity analysis, far infrared line intensities measured in this work using Fourier transform spectroscopy in addition to previously measured line intensities are fitted. 5612 line intensities are accounted for with a unitless standard deviation of 1.5. The results from both analyses are used to build a line list for atmospherical purposes, spanning the 2–5000 cm−1 spectral range and containing 7593 lines. This line list and calculated energies and line intensities are compared to those already published.
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来源期刊
CiteScore
6.90
自引率
11.60%
发文量
14
审稿时长
>12 weeks
期刊介绍: The Journal of Physical and Chemical Reference Data (JPCRD) is published by AIP Publishing for the U.S. Department of Commerce National Institute of Standards and Technology (NIST). The journal provides critically evaluated physical and chemical property data, fully documented as to the original sources and the criteria used for evaluation, preferably with uncertainty analysis. Critical reviews may also be included if they document a reference database, review the data situation in a field, review reference-quality measurement techniques, or review data evaluation methods.
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