Molecular materials for switchable nonlinear optics in the solid state, based on ruthenium-nitrosyl complexes

被引：22

作者：

Akl, Joelle ^{[1
]}

Billot, Chelmia ^{[1
]}

Lacroix, Pascal G. ^{[1
]}

Sasaki, Isabelle ^{[1
]}

Mallet-Ladeira, Sonia ^{[1
]}

Malfant, Isabelle ^{[1
]}

Arcos-Ramos, Rafael ^{[2
]}

Romero, Margarita ^{[2
]}

Farfan, Norberto ^{[2
]}

机构：

[1] CNRS, LCC, F-31077 Toulouse, France

[2] Univ Nacl Autonoma Mexico, Fac Quim, Dept Quim Organ, Mexico City 04510, DF, Mexico

来源：

NEW JOURNAL OF CHEMISTRY | 2013年 / 37卷 / 11期

关键词：

EFFECTIVE CORE POTENTIALS; CRYSTAL-STRUCTURES; EXCITED-STATE; LIGHT; HYPERPOLARIZABILITIES; POLARIZATION; GENERATION; BEHAVIOR; SERIES; FIELD;

D O I：

10.1039/c3nj00558e

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The promising class of (polypyridine-ruthenium)-nitrosyl complexes capable of high yield Ru-NO/Ru-ON isomerization is targeted as a potential molecular device for the achievement of complete NLO switches in the solid state. A computational investigation conducted at the PBE0/6-31+G** DFT level for benchmark systems of general formula [R-terpyridine-(RuCl2)-Cl-II(NO)](PF6) (R being a substituent with various donating or withdrawing capabilities) leads to the suggestion that an isomerization could produce a convincing NLO switch (large value of the beta(ON)/beta(OFF) ratio) for R substituents of weak donating capabilities. Four new molecules were obtained in order to test the synthetic feasibility of this class of materials with R = 4'-p-bromophenyl, 4'-p-methoxyphenyl, 4'-p-diethylaminophenyl, and 4'-p-nitrophenyl. The different cis-(Cl,Cl) and trans-(Cl,Cl) isomers can be separated by HPLC, and identified by NMR and X-ray crystallographic studies.

引用

页码：3518 / 3527

页数：10

共 56 条

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