水合氢离子h30o +的近红外高分辨泛音光谱：2ν32+和2ν32 -波段

IF 2.9 3区化学 Q3 CHEMISTRY, PHYSICAL

Physical Chemistry Chemical Physics Pub Date : 2025-09-19 DOI:10.1039/D5CP03187G

Chiara Schleif, Hayley A. Bunn, Miguel Jiménez-Redondo, Paola Caselli and Pavol Jusko

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引用次数: 0

摘要

本文给出了水合氢离子h30o +的不对称伸展模式ν3 （2ν32+和2ν32−）的两个最强的第一泛音波段的旋转振动谱。测量是在一个温度可变的低温22极离子阱中进行的，使用泄漏光谱（LOS），覆盖6750 - 6950 cm−1的能量范围。用标准的扁对称顶部哈密顿量和额外的非对角矩阵元素进行拟合，得到光谱常数和波段起源，确定2ν32+为6845.610(14)cm−1,2ν32−为6878.393(13)cm−1。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Near-infrared high resolution overtone spectroscopy of the hydronium ion H3O+: the 2ν32+ and 2ν32− bands

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Near-infrared high resolution overtone spectroscopy of the hydronium ion H3O+: the 2ν32+ and 2ν32− bands

This work presents the rovibrational spectra of the two strongest first overtone bands of the asymmetric stretching mode ν₃ (2ν₃²⁺ and 2ν₃²⁻) of the hydronium ion, H₃O⁺. The measurements were performed in a temperature-variable cryogenic 22 pole ion trap using leak-out spectroscopy (LOS), covering an energy range of 6750–6950 cm⁻¹. The spectra were fit with a standard oblate symmetric top Hamiltonian and additional off-diagonal matrix elements accounting for l-doubling to obtain the spectroscopic constants and the band origins, which were determined to be 6845.610(14) cm⁻¹ for 2ν₃²⁺ and 6878.393(13) cm⁻¹ for 2ν₃²⁻.

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来源期刊

Physical Chemistry Chemical Physics 化学-物理：原子、分子和化学物理

CiteScore

5.50

自引率

9.10%

发文量

2675

审稿时长

2.0 months

期刊介绍： Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.