Carborane tuning on iridium complexes: redox-switchable second-order NLO responses
Carborane tuning on iridium complexes: redox-switchable second-order NLO responses
复制标题
铱配合物的碳硼烷调谐：氧化还原可切换的二阶 NLO 响应
DOI：
10.1007/s00894-015-2650-0
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发表时间：
2015-03
期刊：
影响因子：
--
通讯作者：
Qiu Yong-qing*
中科院分区：
文献类型：
--
作者：
Wang Jiao;Wang Wen-yong;Fang Xin-yan;Qiu Yong-qing*
Much effort has been devoted to investigating the molecular geometries, electronic structures, redox properties and nonlinear optical (NLO) properties of Ir complexes involvingo-,m-or p-carborane groups by density functional theory (DFT) methods. Switchable second-order NLO properties were induced by redox processes involving these complexes, and it was found that mainly the coordination bonds of Ir complexes changed during the oxidation process. Our calculations revealed that oxidation reactions have a significant influence on the second-order NLO response owing to the change in charge transfer pattern. Theβtotvalues of oxidized species are at least ∼9 times larger for setIand ∼5 times larger for setIIthan those of the corresponding parent complexes. Introduction of carborane groups into ppy (phenylpyridine) ligands can enhance the second-order NLO response by 1.2– 1.6 times by a metal-to-ligand charge transfer (MLCT) transition between the Ir atom and carborane. Theβtotof complex2[(ppy)2Ir(phen)]+(phen = phenanthroline) is 3.3 times larger than that of complex1(ppy)2Ir(acce) (acce = acetylacetonate), which is caused by ligand-to-ligand charge transfer (LLCT) between ppy ligands and the ancillary ligand. Therefore, it can be concluded that the second-order NLO response can be effectively enhanced by oxidation reactions.Graphical abstractRedox-switchable second-order nonlinear optical (NLO) responses
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DOI：
10.1021/j100108a010
发表时间：
1993-02
期刊：
The Journal of Physical Chemistry
影响因子：
--
作者：
Fiona Sim;S. Chin;M. Dupuis;J. Rice
通讯作者：
Fiona Sim;S. Chin;M. Dupuis;J. Rice
DOI：
10.1039/c2cp00054g
发表时间：
2012-03
期刊：
Physical chemistry chemical physics : PCCP
影响因子：
--
作者：
Nana Ma;Likai Yan;W. Guan;Y. Qiu;Zhongmin Su
通讯作者：
Nana Ma;Likai Yan;W. Guan;Y. Qiu;Zhongmin Su
影响因子：
--
作者：
Adriana Valore;E. Cariati;C. Dragonetti;S. Righetto;D. Roberto;R. Ugo;F. De Angelis;S. Fantacci
通讯作者：
Adriana Valore;E. Cariati;C. Dragonetti;S. Righetto;D. Roberto;R. Ugo;F. De Angelis;S. Fantacci
影响因子：
4.4
作者：
OUDAR, JL
通讯作者：
OUDAR, JL
影响因子：
4.4
作者：
HAY, PJ;WADT, WR
通讯作者：
WADT, WR