Functionalized Ruthenium Dialkynyl Complexes with High Second-Order Nonlinear Optical Properties and Good Potential as Dye Sensitizers for Solar Cells

被引：27

作者：

Nisic, Filippo ^{[1
]}

Colombo, Alessia ^{[1
]}

Dragonetti, Claudia ^{[1
,2
]}

Garoni, Eleonora ^{[1
]}

Marinotto, Daniele ^{[2
]}

Righetto, Stefania ^{[1
]}

De Angelis, Filippo ^{[3
]}

Lobello, Maria Grazia ^{[3
]}

Salvatori, Paolo ^{[3
]}

Biagini, Paolo ^{[4
]}

Melchiorre, Fabio ^{[4
]}

机构：

[1] Univ Milan, Dipartimento Chim, UdR INSTM, I-20133 Milan, Italy

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

[3] Ist CNR Sci & Tecnol Mol, CLHYO, I-06213 Perugia, Italy

[4] Ist Eni Donegani, Ctr Ric Energie Non Convenz, I-28100 Novara, Italy

来源：

ORGANOMETALLICS | 2015年 / 34卷 / 01期

关键词：

CARBON-RICH BRIDGES; ORGANOMETALLIC COMPLEXES; THEORETICAL INVESTIGATIONS; ELECTRONIC COMMUNICATION; ACETYLIDE COMPLEXES; CONJUGATED POLYMERS; SIGMA-ACETYLIDE; MOLECULAR WIRES; AB-INITIO; BAND-GAP;

D O I：

10.1021/om5009378

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Various dipolar p-delocalized Ru(II) dialkynyl complexes were prepared and characterized. Their second-order nonlinear optical (NLO) properties were investigated by the electric-field-induced second harmonic generation (EFISH) technique working in CH2Cl2 solution with an incident wavelength of 1907 nm, whereas the dipole moments were determined by density functional theory (DFT) calculations. All the investigated complexes are characterized by a negative value of mu beta 1.907 EFISH, in agreement with a negative value of Delta mu eg (difference of the dipole moment in the excited and ground state) upon excitation. Their second-order NLO response can be easily modulated by the nature of the alkynyl substituents. Besides, the most promising pushpull ruthenium diacetylide complex, adequately functionalized for anchoring to TiO2, was tested as photosensitizer in dye-sensitized solar cells (DSSCs).

引用

页码：94 / 104

页数：11

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