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

共 13 条

[1] AN INTERMEDIATE NEGLECT OF DIFFERENTIAL-OVERLAP MODEL FOR 2ND-ROW TRANSITION-METAL SPECIES [J].

ANDERSON, WP ;

CUNDARI, TR ;

ZERNER, MC .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1991, 39 (01) :31-45

[2] A DFT/TDDFT interpretation of the ground and excited states of porphyrin and porphyrazine complexes [J].

Baerends, EJ ;

Ricciardi, G ;

Rosa, A ;

van Gisbergen, SJA .

COORDINATION CHEMISTRY REVIEWS, 2002, 230 (1-2) :5-27

[3] Synthesis and axial ligand substitution chemistry of Ru(TTP)(NO)X. Structures of Ru(TTP)(NO)X (X = ONO, OH) [J].

Bohle, DS ;

Hung, CH ;

Smith, BD .

INORGANIC CHEMISTRY, 1998, 37 (22) :5798-5806

[4] Nitric oxide photorelease from ruthenium salen complexes in aqueous and organic solutions [J].

Bordini, J ;

Hughes, DL ;

Neto, JDD ;

da Cunha, CJ .

INORGANIC CHEMISTRY, 2002, 41 (21) :5410-5416

[5] ON THE LOW-LYING STATES AND ELECTRONIC SPECTROSCOPY OF IRON(II) PORPHINE [J].

EDWARDS, WD ;

WEINER, B ;

ZERNER, MC .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (09) :2196-2204

[6] ELECTRONIC-STRUCTURE OF MODEL CHLOROPHYLL SYSTEMS [J].

EDWARDS, WD ;

ZERNER, MC .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1983, 23 (04) :1407-1432

[7]

Frisch M.J., 1998, GAUSSIAN 98

[8]

GISBERGEN SJA, 1999, J CHEM PHYS, V111, P2499

[9] SYNTHESIS, CHARACTERIZATION, AND EPR STUDIES OF STABLE RUTHENIUM(III) SCHIFF-BASE CHLORO AND CARBONYL-COMPLEXES [J].

KHAN, MMT ;

SRINIVAS, D ;

KURESHY, RI ;

KHAN, NH .

INORGANIC CHEMISTRY, 1990, 29 (12) :2320-2326

[10] Synthesis and structural characterization of several ruthenium porphyrin nitrosyl complexes [J].

Miranda, KM ;

Bu, XH ;

Lorkovic, I ;

Ford, PC .

INORGANIC CHEMISTRY, 1997, 36 (21) :4838-4848

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