固体Para-H2的振动激发诱导和自发构象变化——递减矩阵效应

Photochem Pub Date : 2022-07-26 DOI:10.3390/photochem2030039
Sándor Góbi, G. Ragupathy, G. Bazsó, György Tarczay
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引用次数: 1

摘要

振动激发(由(N)IR激光)和自发(由H原子隧穿)构象变化通常通过矩阵隔离光谱来研究。众所周知,刚性主体,如固体稀有气体、N2或正态H2,可以在很大程度上影响(N)IR光子诱导过程的量子效率和隧穿速率。在本研究中,研究了甲酸、乙酸以及甘氨酸在软量子主体固体对-H2中的构象变化。结果表明,准H2中的隧道速率比刚性宿主中的隧道率大几个数量级。此外,我们的结果还表明,一些(N)IR光诱导的构象变化的量子效率大于刚性矩阵中的量子效率。这些结果为para-H2宿主在构象和隧道研究中的应用打开了大门,并有助于理解这些复杂过程的细节。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Vibrational-Excitation-Induced and Spontaneous Conformational Changes in Solid Para-H2—Diminished Matrix Effects
Both vibrational-excitation-induced (by (N)IR laser) and spontaneous (by H atom tunneling) conformational changes are often investigated by matrix-isolation spectroscopy. It is well known that rigid hosts, such as solid noble gases, N2, or normal-H2, can largely affect both the quantum efficiency of the (N)IR photon-induced process and the tunneling rate. In the present study, the conformational changes of formic and acetic acids, as well as glycine, were investigated in a soft quantum host, solid para-H2. It is shown that the tunneling rates in para-H2 are orders of magnitude larger than those in rigid hosts. Furthermore, our results also suggest that the quantum efficiencies of some (N)IR-light-induced conformational changes are larger than in rigid matrices. These results can open a door for the applications of para-H2 host in conformational and tunneling studies and can help understand the details of these complex processes.
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CiteScore
3.60
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