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在单光子、双光子和三光子吸收光谱中，偏离中心对称特性对光谱性质的影响。

Effect of Leaving Centrosymmetric Character on Spectral Properties in Mono-, Bi-, and Triphotonic Absorption Spectroscopies.

作者信息

Gelabert Ricard, Moreno Miquel, Lluch José M

机构信息

Departament de Química, Universitat Autònoma de Barcelona, 08193 Bellaterra, Barcelona, Spain.

Institut de Biotecnologia i de Biomedicina, Universitat Autònoma de Barcelona, 08193 Bellaterra, Barcelona, Spain.

出版信息

ACS Omega. 2024 Sep 25;9(40):41968-41977. doi: 10.1021/acsomega.4c06922. eCollection 2024 Oct 8.

DOI:10.1021/acsomega.4c06922
PMID:39398148
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11465556/
Abstract

Numerical simulations of the absorption bands of photoswitch --tetrafluoroazobenzene in DMSO solution under one-, two-, and three-photon absorption conditions combined with the analysis of the behavior of transition probability under distortion of planarity reveal many similarities between the mono- and triphoton spectroscopic behaviors with a two-photon spectrum being set apart. The position of the absorption peak for the studied nπ* and ππ* transitions appears shifted to lower energies (longer wavelengths) than the conventional estimate based on vertical excitation from the ground-state potential energy minimum.

摘要

在单光子、双光子和三光子吸收条件下，对光开关——四氟偶氮苯在二甲基亚砜溶液中的吸收带进行数值模拟，并结合平面度畸变下跃迁概率行为的分析，结果表明单光子和三光子光谱行为之间存在许多相似之处，而双光子光谱则有所不同。所研究的nπ和ππ跃迁的吸收峰位置相较于基于基态势能最小值处垂直激发的传统估计，出现了向较低能量（较长波长）的偏移。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f8e8/11465556/e1a7602b96a1/ao4c06922_0008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f8e8/11465556/1c836c8f6296/ao4c06922_0001.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f8e8/11465556/e1a7602b96a1/ao4c06922_0008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f8e8/11465556/1c836c8f6296/ao4c06922_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f8e8/11465556/654f1460d25d/ao4c06922_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f8e8/11465556/20c4a1ac0a5f/ao4c06922_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f8e8/11465556/6c5fd2da8ed1/ao4c06922_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f8e8/11465556/f0a324b3dd14/ao4c06922_0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f8e8/11465556/b753c6366b7f/ao4c06922_0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f8e8/11465556/af9e5383bc57/ao4c06922_0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f8e8/11465556/e1a7602b96a1/ao4c06922_0008.jpg

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