Oxidation and reduction response of α-diimine complexes with tricarbonylrhenium halides and pseudohalides

被引：13

作者：

Grupp, Anita ^{[1
]}

Bubrin, Martina ^{[1
]}

Ehret, Fabian ^{[1
]}

Kvapilova, Hana ^{[2
]}

Zalis, Stanislav ^{[2
]}

Kaim, Wolfgang ^{[1
]}

机构：

[1] Univ Stuttgart, Inst Anorgan Chem, D-70550 Stuttgart, Germany

[2] Acad Sci Czech Republ, J Heyrovsky Inst Phys Chem, Vvi, CZ-18223 Prague, Czech Republic

来源：

JOURNAL OF ORGANOMETALLIC CHEMISTRY | 2014年 / 751卷

关键词：

1,4-Diazabuta-1,3-dienes; Electronic structure; Pseudohalogen ligands; Rhenium compounds; Spectroelectrochemistry; DFT calculations; EXCITED-STATES; CHARGE-TRANSFER; RHENIUM(I) COMPLEXES; TRANSITION-METAL; CO2; SOLVATOCHROMISM; LIGANDS; ABSORPTION; REACTIVITY; EPR;

D O I：

10.1016/j.jorganchem.2013.08.030

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Compounds [Re(CO)(3)X(R-DAB)], X = Cl, Br, CN, NCS and R-DAB = RN=CH-CH=NR (R = tert-butyl) were obtained, structurally characterized, and studied with regard to their oxidation and reduction behavior using cyclic voltammetry, EPR, IR and UV-vis-NIR spectroelectrochemistry. Whereas the halide compounds exhibit more reversible oxidation processes, the pseudohalide complexes display reversible one-electron reduction but irreversible oxidation. DFT and TD-DFT calculations were employed to confirm the experimentally derived electronic structures and spectral properties. (c) 2013 Elsevier B.V. All rights reserved.

引用

页码：678 / 685

页数：8

共 76 条

[1] Toward reliable density functional methods without adjustable parameters: The PBE0 model [J].

Adamo, C ;

Barone, V .

JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (13) :6158-6170

[2] Reduction of CO2 on a Tricarbonyl Rhenium(I) Complex: Modeling a Catalytic Cycle [J].

Agarwal, Jay ;

Johnson, Richard P. ;

Li, Gonghu .

JOURNAL OF PHYSICAL CHEMISTRY A, 2011, 115 (13) :2877-2881

[3] ENERGY-ADJUSTED ABINITIO PSEUDOPOTENTIALS FOR THE 2ND AND 3RD ROW TRANSITION-ELEMENTS [J].

ANDRAE, D ;

HAUSSERMANN, U ;

DOLG, M ;

STOLL, H ;

PREUSS, H .

THEORETICA CHIMICA ACTA, 1990, 77 (02) :123-141

[4] METAL TO LIGAND CHARGE-TRANSFER PHOTOCHEMISTRY OF METAL-METAL BONDED COMPLEXES .5. ELECTRON-SPIN-RESONANCE SPECTRA OF STABLE RHENIUM-ALPHA-DIIMINE AND SPIN-TRAPPED MANGANESE-ALPHA-DIIMINE RADICALS [J].

ANDREA, RR ;

DELANGE, WGJ ;

VANDERGRAAF, T ;

RIJKHOFF, M ;

STUFKENS, DJ ;

OSKAM, A .

ORGANOMETALLICS, 1988, 7 (05) :1100-1106

[5]

[Anonymous], INORG CHIM ACTA

[6] A STABLE CRYSTALLINE CARBENE [J].

ARDUENGO, AJ ;

HARLOW, RL ;

KLINE, M .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1991, 113 (01) :361-363

[7]

Berger S, 2001, Z ANORG ALLG CHEM, V627, P620, DOI 10.1002/1521-3749(200104)627:4<620::AID-ZAAC620>3.3.CO

[8]

2-B

[9] 1,4-DIAZABUTADIENE-METAL CARBONYLS [J].

BOCK, H ;

TOMDIECK, H .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1966, 5 (05) :520-&

[10]

BOCK H, 1966, ANGEW CHEM, V78, P549

← 1 2 3 4 5 6 7 8 →