The synthesis, molecular, crystal, and electronic structures of [ReBr2(O)(OCH3)(PPh3)2]

被引：3

作者：

Michalik, S. ^{[1
]}

Malecki, J. G. ^{[2
]}

Kruszynski, R. ^{[3
]}

Kozik, V. ^{[4
]}

Kusz, J. ^{[5
]}

Krompiec, M. ^{[1
]}

机构：

[1] Univ Silesia, Dept Inorgan & Coordinat Chem, Inst Chem, PL-40006 Katowice, Poland

[2] Univ Silesia, Dept Crystallog, Inst Chem, PL-40006 Katowice, Poland

[3] Tech Univ Lodz, Dept Xray Crystallog & Crystal Chem, Inst Gen & Ecol Chem, PL-90924 Lodz, Poland

[4] Univ Silesia, Dept Organ Synth Chem, Inst Chem, PL-40006 Katowice, Poland

[5] Univ Silesia, Inst Phys, PL-40006 Katowice, Poland

来源：

JOURNAL OF COORDINATION CHEMISTRY | 2011年 / 64卷 / 12期

关键词：

Rhenium; X-ray structure; Electronic structure; DFT calculations; DFT CALCULATIONS; COMPLEXES; RHENIUM; CORE; TECHNETIUM; CHEMISTRY; LIGAND; BR; CL; PD;

D O I：

10.1080/00958972.2011.591930

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

[ReBr2(O)(OCH3)(PPh3)(2)] has been obtained in the reaction of [ReBr3O(PPh3)(2)] or [ReBr2(eta(2)-N2COPh-N',O)(PPh3)(2)] with an excess of methanol. [ReBr2O(OMe)(PPh3)(2)] crystallizes in the triclinic space group P-1. The complex was characterized by infrared, UV-Vis, and H-1 NMR spectra. The electronic structure of the obtained compound has been calculated using the DFT/TD-DFT method.

引用

页码：2202 / 2213

页数：12

共 44 条

[1] The Cambridge Structural Database: a quarter of a million crystal structures and rising [J].

Allen, FH .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 2002, 58 (3 PART 1) :380-388

[2] Photoinduced conductivity and nonlinear optical properties of [M(R, R′timdt)2] dithiolenes (M = Ni, Pd, Pt; R,R′timdt = monoreduced imidazolidine-2,4,5-trithione) as materials for optically driven switches and photodetectors [J].

Aragoni, MC ;

Arca, M ;

Cassano, T ;

Denotti, C ;

Devillanova, FA ;

Isaia, F ;

Lippolis, V ;

Natali, D ;

Nitti, L ;

Sampietro, M ;

Tommasi, R ;

Verani, G .

INORGANIC CHEMISTRY COMMUNICATIONS, 2002, 5 (10) :869-872

[3] DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].

BECKE, AD .

JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652

[4]

Casida M. E., 1996, THEORET COMPUT CHEM

[5] SOME BENZOYLAZO-COMPLEXES OF RHENIUM HALIDES WITH TERTIARY PHOSPHINES, AND RELATED COMPOUNDS [J].

CHATT, J ;

DILWORTH, JR ;

LEIGH, GJ ;

GUPTA, VD .

JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1971, (16) :2631-&

[6] Oxalato complexes of Re(V).: Synthesis and structural characterization of [ReO(OCH3)(ox)(L)] (L = bipy, dppe and dppee) [J].

Chiozzone, R ;

González, R ;

Kremer, C ;

De Munno, G ;

Faus, J .

INORGANICA CHIMICA ACTA, 2001, 325 (1-2) :203-207

[7] A mono-diazenide complex from perrhenate: Toward a new core for rhenium radiopharmaceuticals [J].

Cowley, AR ;

Dilworth, JR ;

Donnelly, PS .

INORGANIC CHEMISTRY, 2003, 42 (04) :929-931

[8] Novel zwitterionic oxorhenium(V) complexes:: Synthesis, characterization and crystal structure of [ReOX2(Hdhp)(PPh3)] (X = Cl, Br; H2dhp=2,3-dihydroxypyridine) [J].

de Souza, Elizeu J. ;

Fernandes, Andre G. de A. ;

Deflon, Victor M. ;

Bessler, Karl E. ;

Lemos, Sebastiao S. ;

Batista, Alzir A. ;

Ellena, Javier ;

Castellano, Eduardo E. ;

Abram, Ulrich ;

Hagenbach, Adelheid .

JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY, 2006, 17 (08) :1578-1583

[9]

Desiraju G. R., 1999, The Weak Hydrogen Bond

[10]

DEUTSCH EA, 1990, TECHNETIUM RHENIUM C

← 1 2 3 4 5 →