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通过共晶形成调节激发态分子内质子转移(ESIPT)过程和发射:一项结合实验与理论的研究。

Tuning excited-state-intramolecular-proton-transfer (ESIPT) process and emission by cocrystal formation: a combined experimental and theoretical study.

作者信息

Lin Heyang, Chang Xueping, Yan Dongpeng, Fang Wei-Hai, Cui Ganglong

机构信息

State Key Laboratory of Chemical Resource Engineering , Beijing University of Chemical Technology , Beijing 100029 , P. R. China.

Key Laboratory of Theoretical and Computational Photochemistry , Ministry of Education , College of Chemistry , Beijing Normal University , Beijing 100875 , P. R. China . Email:

出版信息

Chem Sci. 2017 Mar 1;8(3):2086-2090. doi: 10.1039/c6sc04354b. Epub 2016 Nov 14.

DOI:10.1039/c6sc04354b
PMID:28451328
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5399640/
Abstract

The formation of two-component molecular cocrystals can lead to the tunable excited state intramolecular proton transfer (ESIPT) process and emission, as first confirmed by both experimental and computational studies.

摘要

双组分分子共晶体的形成可导致可调谐的激发态分子内质子转移(ESIPT)过程和发射,这首先得到了实验和计算研究的证实。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/68b5/5399640/384bd7c4d966/c6sc04354b-f2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/68b5/5399640/83955795b183/c6sc04354b-s1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/68b5/5399640/459e637f2cbc/c6sc04354b-f1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/68b5/5399640/384bd7c4d966/c6sc04354b-f2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/68b5/5399640/83955795b183/c6sc04354b-s1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/68b5/5399640/459e637f2cbc/c6sc04354b-f1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/68b5/5399640/384bd7c4d966/c6sc04354b-f2.jpg

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Computational Protocol for Modeling Thermochromic Molecular Crystals: Salicylidene Aniline As a Case Study.
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