pH-Controlled twisted intramolecular charge transfer (TICT) excited state via changing the charge transfer direction

被引：187

作者：

Zhao, Guang-Jiu ^{[1
]}

Han, Ke-Li ^{[1
]}

机构：

[1] Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2010年 / 12卷 / 31期

关键词：

CARDIOTONIC DRUG MILRINONE; DENSITY-FUNCTIONAL THEORY; ELECTRONIC-STRUCTURE; TRANSFER COMPLEX; BASIS-SETS; FLUORESCENCE; DERIVATIVES; SOLVENTS; DYNAMICS; WATER;

D O I：

10.1039/b924549a

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In this work, a new model compound, the twisted intramolecular charge transfer (TICT) excited state of Milrinone (MIR), has been theoretically presented. MIR exists in different tautomeric and ionic forms in aqueous solution with different pH values. The TICT excited state properties for various forms of MIR are demonstrated to be significantly different and controlled by the pH values of MIR in aqueous solution.

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收藏

页码：8914 / 8918

页数：5

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