利用 GeC 分子的 (2)3∏ - X3∏ 体系计算源的有效振动温度

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2024-07-01 DOI:10.1016/j.ascom.2024.100859
R. Sindhan , N. Venkatesh Bharathi , S. Ramaswamy
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引用次数: 0

摘要

本研究采用 Rydberg-Klein-Rees (RKR) 方法构建了 GeC 分子 (2)3Π 和 X3Π 电子态的实验势能曲线。根据 Rydberg-Klein-Rees (RKR) 电位,对实验观测到的 GeC 分子 (2)3Π-X3Π 系统的辐射转变参数,即 Franck-Condon (FC) 因子、r-中心点、电子转变矩、能带强度、相对能带强度、爱因斯坦系数、辐射寿命和振荡器强度进行了估算,并将估算值列表。结果发现 GeC 分子的 (2)3Π-X3Π 系统的有效振动温度为 5628 K。辐射转变参数和有效振动温度表明,太阳和太阳黑子大气中可能存在 GeC 分子。此外,这些参数还可用于天体化学和天体物理观测的合理化。
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On the effective vibrational temperature of the source using (2)3∏ - X3∏ system of GeC molecule

In this work, the experimental potential energy curves for (2)3Π and X3Π electronic states of GeC molecule have been constructed by using Rydberg-Klein-Rees (RKR) method. The radiative transition parameters viz., Franck-Condon (FC) factor, r-centroid, electronic transition moment, band strength, relative band strength, Einstein coefficients, radiative lifetime and oscillator strength for the (2)3ΠX3Π system of GeC molecule have been estimated for the experimentally observed vibrational levels from Rydberg-Klein-Rees (RKR) potential and the estimated values are tabulated. The estimated effective vibrational temperature found as 5628 K for the (2)3ΠX3Π system of GeC molecule. The radiative transition parameters and effective vibrational temperature are evident that the possible presence of GeC molecule in solar and sunspots atmosphere. Further, these parameters are employed in rationalizations of astrochemical and astrophysical observations.

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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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