基于腔增强拉曼光谱的振动分析：环己烷。

IF 2.8 2区化学 Q3 CHEMISTRY, PHYSICAL

The Journal of Physical Chemistry A Pub Date : 2025-04-10 Epub Date: 2025-03-31 DOI:10.1021/acs.jpca.4c07709

Qing-Ying Yang, Qin Yang, Yi-Fan Song, An-Wen Liu, Jin Wang, Yan Tan, Yu R Sun, Shui-Ming Hu

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引用次数: 0

摘要

环己烷（CAS: 110-82-7）是一种源自石油的无色有机溶剂，是一种有价值的拉曼位移校准参考标准，是复杂化学和生物体系中六元环结构的模型。在本研究中，我们使用腔增强拉曼光谱（CERS）测量了室温下气态环己烷在200-3200 cm-1范围内的偏振拉曼光谱。将观测到的振动波数、强度和退极化比与计算值进行比较，可以分配几十个拉曼活动带，包括许多泛音和组合带。这一工作证明了CERS在气相多原子分子振动分析中的能力。

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Vibrational Analysis Based on Cavity-Enhanced Raman Spectroscopy: Cyclohexane.

Cyclohexane (CAS: 110-82-7), a colorless organic solvent derived from petroleum, is a valuable reference standard for Raman shift calibration and serves as a model for six-membered ring structures in complex chemical and biological systems. In this study, we measured polarized Raman spectra of gaseous cyclohexane at room temperature using cavity-enhanced Raman spectroscopy (CERS) across the range of 200-3200 cm^-1. The observed vibrational wavenumbers, intensities, and depolarization ratios were compared with calculated values, enabling the assignment of several dozen Raman-active bands, including many overtone and combination bands. This work demonstrates the capability of CERS for vibrational analysis of gas-phase polyatomic molecules.

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来源期刊

The Journal of Physical Chemistry A 化学-物理：原子、分子和化学物理

CiteScore

5.20

自引率

10.30%

发文量

922

审稿时长

1.3 months

期刊介绍： The Journal of Physical Chemistry A is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.