On the precise determination of spectroscopic parameters and vibrational energy structure of MSiH4 (M= 28, 29, 30) silane up to 9000 cm−1

IF 1.9 3区物理与天体物理 Q2 OPTICS

Journal of Quantitative Spectroscopy & Radiative Transfer Pub Date : 2025-05-09 DOI:10.1016/j.jqsrt.2025.109486

O.N. Ulenikov , E.S. Bekhtereva , O.V. Gromova , P.A. Glushkov , S. Bauerecker

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引用次数: 0

Abstract

An important problem for numerous applications in physics and chemistry is the precise quantitative determination of spectroscopic parameters of the

^{M}

SiH

_{4}

(

M =

28, 29, 30) molecules which is solved on the basis of high accurate experimental data and of sets of symmetrized vibrational functions and tetrahedral splitting parameters for the XY

_{4}

_{d}

symmetry) molecules recently derived in analytical form (Ulenikov et al., 2023, 2024). On that basis, vibrational energy spectra of three isotopologues of silane are predicted up to 9000 cm⁻¹ (for all polyads up to the polyad number

N = 4

查看原文本刊更多论文

对MSiH4 （M= 28,29,30）硅烷在高达9000 cm−1范围内的光谱参数和振动能量结构进行了精确测定

MSiH4 （M= 28,29,30）分子的光谱参数的精确定量测定是物理和化学中众多应用的一个重要问题，该问题是在高精度实验数据和最近以解析形式导出的XY4 （Td对称）分子的对称振动函数集和四面体分裂参数的基础上解决的（Ulenikov et al., 2023,2024）。在此基础上，预测了硅烷三种同位素体在9000 cm−1范围内的振动能谱（适用于聚合体数N=4以内的所有聚合体）。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Quantitative Spectroscopy & Radiative Transfer 物理-光谱学

CiteScore

5.30

自引率

21.70%

发文量

273

审稿时长

58 days

期刊介绍： Papers with the following subject areas are suitable for publication in the Journal of Quantitative Spectroscopy and Radiative Transfer: - Theoretical and experimental aspects of the spectra of atoms, molecules, ions, and plasmas. - Spectral lineshape studies including models and computational algorithms. - Atmospheric spectroscopy. - Theoretical and experimental aspects of light scattering. - Application of light scattering in particle characterization and remote sensing. - Application of light scattering in biological sciences and medicine. - Radiative transfer in absorbing, emitting, and scattering media. - Radiative transfer in stochastic media.