Synthesis, Molecular Structure and DFT Study of [(dpp-bian)Ga-M(Et2O)3] (M = Li, Na; dpp-bian=1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene)

被引：43

作者：

Fedushkin, Igor L. ^{[1
]}

Lukoyanov, Anton N. ^{[1
]}

Fukin, Georgy K. ^{[1
]}

Ketkov, Sergey Yu. ^{[1
]}

Hummert, Markus ^{[2
]}

Schumann, Herbert ^{[3
]}

机构：

[1] Russian Acad Sci, GA Razuvaev Inst Organomet Chem, Nizhnii Novgorod 603950, Russia

[2] Tech Univ Dresden, Inst Angew Photophys, D-01062 Dresden, Germany

[3] Tech Univ Berlin, Inst Chem, D-10623 Berlin, Germany

来源：

CHEMISTRY-A EUROPEAN JOURNAL | 2008年 / 14卷 / 28期

基金：

俄罗斯基础研究基金会;

关键词：

alkali metals; density functional calculations; gallium; metal-metal bonds; N ligands; structure elucidation;

D O I：

10.1002/chem.200801267

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The synthesis and crystal structure of the Ga-Ga bonded compound [(dpp-bian)Ga-Ga(dpp-bian)], containing the diimine ligand in its dianionic form, was evaluated by DFT studies. The studies show that the orbitals HOMO-1 (π) and HOMO-17 (σ) are responsible for the metal-metal bonding, and the LUMO (π) orbital shows bonding character with respect to the Ga-Ga bond. The gallium atoms are coordinated in a distorted trigonal-planar geometry and the ligand arrangement around the respective alkali metal atoms corresponds to a distorted tertahedron. The Ga-N distances is found to be longer , which reflects the difference in the formal oxidation state of Ga atoms. The results also show that the Ga-Li bond arises from the donation of the electron lone pair of Ga to the vacant 2s orbital of the lithium cation.

引用

页码：8465 / 8468

页数：4

共 41 条

[41] Synthesis of functionalized cobaltacarboranes based on the closo-[(1,2-C2B9H11)2-3,3′-Co]- ion bearing polydentate ligands for separation of M3+ cations from nuclear waste solutions.: Electrochemical and liquid-liquid extraction study of selective transfer of M3+ metal cations to an organic phase.: Molecular structure of the closo-[(8-(2-CH3O-C5H4-O)-(CH2CH2O)2-1,2-C2B9H10)-(1′,2′-C2B9H11)-3,3′-Co]Na determined by X-ray diffraction analysis
Plesek, J
Grüner, B
Hermánek, S
Báca, J
Marecek, V
Jänchenová, J
Lhotsky, A
Holub, K
Selucky, P
Rais, J
Císarová, I
Cáslavsky, J
POLYHEDRON, 2002, 21 (9-10) : 975 - 986

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