Electronic spectra of ruthenium nitrosyl complexes with macrocyclic ligands

被引：14

作者：

Sizova, OV ^{[1
]}

Ivanova, NV ^{[1
]}

Sizov, VV ^{[1
]}

Nikol'skii, AB ^{[1
]}

机构：

[1] St Petersburg State Univ, St Petersburg 198904, Russia

来源：

RUSSIAN JOURNAL OF GENERAL CHEMISTRY | 2004年 / 74卷 / 04期

基金：

俄罗斯基础研究基金会;

关键词：

D O I：

10.1023/B:RUGC.0000031843.26412.10

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Electronic spectra of ruthenium(II) nitrosyl complexes [Ru(NO)(salen)(X)](n) (X = Cl, H2O; n = 0, 1) and [Ru(NO)(P)(ONO)] with tetradentate pi-conjugated ligands N,N'-ethylenebis(salicylideniminato) dianion (salen) and porphinate dianion (P) were calculated by the TD DFT and CINDO/Cl methods. The data obtained were compared to the results of previous calculations of the spectra of trans-[Ru(NO)(NH3)(4)(L)](3+) complexes with nitrogen-containing heterocyclic ligands L. It was found that charge-transfer transitions to pi* orbitals of the RuNO group dominate in the long-wave part of the spectrum irrespective of the other ligands.

引用

页码：481 / 485

页数：5

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