9-BBN activation.: Synthesis, crystal structure and theoretical characterization of the ruthenium complex Ru[(μ-H)2BC8H14]2(PCY3)

被引：24

作者：

Essalah, K

Barthelat, JC

Montiel, V

Lachaize, S

Donnadieu, B

Chaudret, B

Sabo-Etienne, S

机构：

[1] CNRS, Chim Coordinat Lab, F-31077 Toulouse 4, France

[2] Univ Toulouse 3, Phys Quant Lab, IRSAMC, UMR 5626, F-31062 Toulouse 4, France

[3] Inst Preparatoire Etud Sci & Tech, Unite Rech Physicochim Mol, La Marsa 2070, Tunisia

来源：

JOURNAL OF ORGANOMETALLIC CHEMISTRY | 2003年 / 680卷 / 1-2期

关键词：

boranes; ruthenium; polyhydrides; DFT; 9-BBN;

D O I：

10.1016/S0022-328X(03)00343-7

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Reaction of the bis(dihydrogen) ruthenium complex RuH2(H-2)(2)(PCy3)(2) (1) with an excess of 9-borabicyclononane yields Ru[(mu-H)(2)BC8H14](2)(PCy3) (6) and the phosphine adduct (PCy3HBC8H14)-H-.. The new complex is characterized by NMR spectroscopy and X-ray diffraction. New X-ray data on 9-BBN dimer, from a measurement at 180 K, are also reported. DFT calculations (B3LYP) on Ru[(mu-H)(2)BC8H14](2)(PMe3) (7), the PMe3 analogue of 6, confirm the ruthenium (II) formulation with two dihydroborate ligands. The data obtained using PH3 or PMe3 as models for PCy3 in (PR3HBC8H14)-H-. are also discussed. (C) 2003 Elsevier Science B.V. All rights reserved.

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页码：182 / 187

页数：6

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