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题名: pH-Controlled twisted intramolecular charge transfer (TICT) excited state via changing the charge transfer direction
作者: Zhao, Guang-Jiu1;  Han, Ke-Li1
刊名: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
发表日期: 2010
DOI: 10.1039/b924549a
卷: 12, 期:31, 页:8914-8918
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
英文摘要: 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.
关键词[WOS]: CARDIOTONIC DRUG MILRINONE ;  DENSITY-FUNCTIONAL THEORY ;  ELECTRONIC-STRUCTURE ;  TRANSFER COMPLEX ;  BASIS-SETS ;  FLUORESCENCE ;  DERIVATIVES ;  SOLVENTS ;  DYNAMICS ;  WATER
语种: 英语
WOS记录号: WOS:000280514800026
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/141940
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

Recommended Citation:
Zhao, Guang-Jiu,Han, Ke-Li. pH-Controlled twisted intramolecular charge transfer (TICT) excited state via changing the charge transfer direction[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2010,12(31):8914-8918.
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