The role of 5-R-1, 10-phenanthroline (R = CH3, NO2) on the emission properties and second-order NLO response of cationic Ir(III) organometallic chromophores

被引：42

作者：

Dragonetti, Claudia ^{[1
,3
]}

Righetto, Stefania ^{[1
,3
]}

Roberto, Dominique ^{[1
,3
,4
]}

Ugo, Renato ^{[1
,3
,4
]}

Valore, Adriana ^{[1
,3
]}

Demartin, Francesco ^{[2
]}

De Angelis, Filippo ^{[5
,6
]}

Sgamellotti, Antonio ^{[5
,6
]}

Fantacci, Simona ^{[5
,6
]}

机构：

[1] Univ Milan, Dipartimento Chim Inorgan Metallorgan & Analit La, I-20133 Milan, Italy

[2] Univ Milan, Dipartimento Chim Strutturale & Stereochim Inorga, I-20133 Milan, Italy

[3] UdR INSTM Milano, I-20133 Milan, Italy

[4] ISTM CNR, I-20133 Milan, Italy

[5] UdR INSTM Perugia, Dipartimento Chim, I-06123 Perugia, Italy

[6] ISTM CNR, I-06123 Perugia, Italy

来源：

INORGANICA CHIMICA ACTA | 2008年 / 361卷 / 14-15期

关键词：

emission; nonlinear optics; cyclometallated iridium complexes; phenanthroline complexes; DFT/TDDFT calculations; X-ray diffraction;

D O I：

10.1016/j.ica.2008.03.051

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

[Ir(cyclometallated 4,5-diphenyl-2-methyl-thiazole)(2)(5-R-1, 10-phenanthroline)][PF6] (R = CH3, NO2) complexes were prepared and fully characterized, the structure of the complex with 5-CH3-1, 10-phenanthroline being also determined by X-ray diffraction. The emission properties of both complexes have been investigated and their second-order nonlinear optical (NLO) response has been determined experimentally by the EFISH technique and found to be similar but slightly lower than that of related [Ir(ppy)(2)(5-R-1, 10-phenanthroline)][PF6] (ppy = cyclometallated 2-phenylpyridine), characterized by one of the highest second-order NLO response ever reported for a metal complex. In the complexes, SOS/TDDFT calculations show that the large and negative sign of the measured hyperpolarizability is mainly due to the significant contribution of rather intense MLCT transitions involving the phenanthroline as acceptor ligand. (C) 2008 Elsevier B.V. All rights reserved.

引用

页码：4070 / 4076

页数：7

共 38 条

[1] SIR97:: a new tool for crystal structure determination and refinement [J].