Influence of Relativistic Effects on Bonding Modes in M(II) Dinuclear Complexes (M = Au, Ag, and Cu)

被引：22
|
作者：
Jerabek, Paul [1 ]
von der Esch, Beatriz [1 ]
Schmidbaur, Hubert [2 ]
Schwerdtfeger, Peter [1 ]
机构：
[1] Massey Univ, New Zealand Inst Adv Study, Private Bag 102904, Auckland 0632, New Zealand
[2] Tech Univ Munich, Dept Chem, D-85747 Garching, Germany
来源：
INORGANIC CHEMISTRY | 2017年 / 56卷 / 23期
关键词：
CLOSED-SHELL ATTRACTION; GOLD CHEMISTRY; BASIS-SETS; METALLOPHILIC INTERACTIONS; COORDINATION CHEMISTRY; HARTREE-FOCK; DENSITY; GOLD(III); VALENCE; HALIDES;
D O I：
10.1021/acs.inorgchem.7b02434
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The stability and bonding in dinuclear group 11 metal complexes (M = Au, Ag, and Cu) in their +2 oxidation state has been investigated by quantum chemical methods. Two model complexes were selected as representatives of different bonding situations in the dinuclear M(II) complexes, a direct metal-metal bond between two ligand stabilized monomers and ligand-mediated bridged dimer system, making them interesting for a direct comparison and to study the influence of relativistic effects. Relativity substantially stabilizes the direct metal metal bonded system obtaining the sequence in M-M bond stability Au > Ag > Cu. In the ligand-bridged structure, an asymmetric bonding situation is obtained for gold, resulting in two stronger/covalent and two weaker/ionic bonds per gold atom. Here we observe the opposite trend in stability Cu > Ag > Au. Our analysis nicely corroborates with what is known from experimental observation.
引用
收藏
页码：14624 / 14631
页数：8
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