Isotopic species, vibrational states and nuclear quadrupole splitting in CH2Cl2 from rotational spectroscopy at 8–18 GHz

IF 1.4 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Journal of Molecular Spectroscopy Pub Date : 2024-10-11 DOI:10.1016/j.jms.2024.111954
Zbigniew Kisiel
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Abstract

The present work fills several significant gaps in the study of the rotational spectrum of the methylene chloride molecule. Two Fourier transform microwave spectrometers were used, providing complementary coverage of the 8–18 GHz region, at room temperature and in supersonic expansion. Hyperfine resolved measurements were made and fitted for ground states of the CH235Cl2, CH235Cl37Cl, CH237Cl2, and 13CH235Cl2 isotopic species, as well as for nine different excited vibrational states. Transitions in the v4=2, v4=3, v3=1, v9=1 states in CH235Cl2, and transitions in excited states of the ν4 mode in 35Cl37Cl and 37Cl2 isotopic species have been assigned for the first time. Vibrational and isotopic dependence of nuclear quadrupole coupling constants was identified. The v3=1 and v9=1 states in CH235Cl2 were found to be significantly coupled by c-axis Coriolis interaction, while transitions in v4=2 and v4=3 states exhibited hyperfine mediated perturbations enhancing the determination of the χab parameter and allowing assessment of its vibrational dependence.

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通过 8-18 GHz 旋转光谱分析 CH2Cl2 中的同位素种类、振动状态和核四极分裂
本研究填补了二氯甲烷分子旋转光谱研究中的几项重大空白。研究使用了两台傅立叶变换微波光谱仪,在室温和超音速膨胀条件下对 8-18 GHz 区域进行了互补覆盖。对 CH235Cl2、CH235Cl37Cl、CH237Cl2 和 13CH235Cl2 同位素的基态以及九种不同的激发振动态进行了超细分辨测量和拟合。首次分配了 CH235Cl2 中 v4=2、v4=3、v3=1 和 v9=1 态的跃迁,以及 35Cl37Cl 和 37Cl2 同位素物种中 ν4 模式激发态的跃迁。确定了核四极耦合常数的振动和同位素依赖性。发现 CH235Cl2 中的 v3=1 和 v9=1 态与 c 轴科里奥利相互作用显著耦合,而 v4=2 和 v4=3 态的跃迁则表现出超频介导的扰动,从而增强了 χab 参数的测定并允许评估其振动依赖性。
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来源期刊
CiteScore
2.70
自引率
21.40%
发文量
94
审稿时长
29 days
期刊介绍: The Journal of Molecular Spectroscopy presents experimental and theoretical articles on all subjects relevant to molecular spectroscopy and its modern applications. An international medium for the publication of some of the most significant research in the field, the Journal of Molecular Spectroscopy is an invaluable resource for astrophysicists, chemists, physicists, engineers, and others involved in molecular spectroscopy research and practice.
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High resolution laser diode spectroscopy of the hot bands of C2HD in the first overtone region of C-H stretching Buffer-gas cooling of hydrogen cyanide quantified by cavity-ringdown spectroscopy Pure rotational spectroscopic measurements on the electronic ground states of Hafnium monosulfide and Thorium monosulfide in highly excited vibrational states Isotopic species, vibrational states and nuclear quadrupole splitting in CH2Cl2 from rotational spectroscopy at 8–18 GHz Editorial Board
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