c3的经验振动能级

IF 1.6 4区化学 Q4 CHEMISTRY, PHYSICAL

Molecular Physics Pub Date : 2023-11-02 DOI:10.1080/00268976.2023.2276912

Jonathan Tennyson

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引用次数: 0

摘要

碳三聚体，C3也被称为丙二烯，是一种准线性分子，具有不寻常的电子结构和基电子状态下非常平坦的弯曲电位。C3是天体物理学和碳等离子体中的重要物质。从21篇论文中提取了C3的X~1Σg+和A~1Πu状态内和之间的观测跃迁波数，然后进行了测量的主动旋转振动能级(MARVEL)分析:将4940个跃迁的修正列表倒转到1887个经验能级。这些水平的不确定性是用一种新实现的自举法确定的。这些能级将为开发C3的全光谱模型提供输入，该模型可用于生成X~1Σg+和a ~1Πu态的谱线表。

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Empirical rovibronic energy levels of C ₃

The carbon trimer, C3 also known as propadienediylidene, is a quasi-linear molecule with an unusual electronic structure and a very flat bending potential in its ground electronic state. C3 is an important species in astrophysics and carbon plasmas. Observed transition wavenumbers within and between the X~1Σg+ and A~1Πu states of C3 are extracted from 21 papers and then subjected to a Measured Active Rotational-Vibrational Energy Levels (MARVEL) analysis: a corrected list of 4940 transitions are inverted to yield 1887 empirical energy levels. Uncertainties for these levels are determined using a newly implemented bootstrap method. These levels will provide input for developing a full spectroscopic model for C3 which can used to generate a line list for the X~1Σg+ and A~1Πu states.

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来源期刊

Molecular Physics 物理-物理：原子、分子和化学物理

CiteScore

3.60

自引率

5.90%

发文量

269

审稿时长

2 months

期刊介绍： Molecular Physics is a well-established international journal publishing original high quality papers in chemical physics and physical chemistry. The journal covers all experimental and theoretical aspects of molecular science, from electronic structure, molecular dynamics, spectroscopy and reaction kinetics to condensed matter, surface science, and statistical mechanics of simple and complex fluids. Contributions include full papers, preliminary communications, research notes and invited topical review articles.