Molecular and Electronic Structure of the Cluster [Au8(PPh3)8](NO3)2

被引：9

作者：

Gutrath, Benjamin S. ^{[1
,2
]}

Schiefer, Frank ^{[1
,2
]}

Homberger, Melanie ^{[1
,2
]}

Englert, Ulli ^{[1
,2
]}

Serb, Mihaela-D. ^{[3
]}

Bettray, Wolfgang ^{[4
]}

Beljakov, Igor ^{[5
]}

Meded, Velimir ^{[5
]}

Wenzel, Wolfgang ^{[5
]}

Simon, Ulrich ^{[1
,2
]}

机构：

[1] Rhein Westfal TH Aachen, Inst Inorgan Chem, Landoltweg 1, D-52074 Aachen, Germany

[2] JARA Fundamentals Future Informat, Landoltweg 1, D-52074 Aachen, Germany

[3] Univ Politehn Bucuresti, Fac Appl Chem & Mat Sci, Polizu 1, Bucharest 011061, Romania

[4] Rhein Westfal TH Aachen, Inst Organ Chem, Landoltweg 1, D-52074 Aachen, Germany

[5] Karlsruhe Inst Technol, Inst Nanotechnol, Hermann von Helmholtz Pl 1, D-76344 Eggenstein Leopoldshafen, Germany

来源：

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY | 2016年 / 07期

关键词：

Cluster compounds; Gold; Nanoparticles; Electronic structure; Band gap; X-RAY STRUCTURE; GOLD CLUSTERS; OPTICAL-PROPERTIES; FLUORESCENT; PLUS; ELECTROCHEMISTRY; APPROXIMATION; NANOCLUSTERS; SYSTEMS; EXAMPLE;

D O I：

10.1002/ejic.201501334

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

We present a detailed structural discussion of [Au-8(PPh3)(8)](NO3)(2), crystallized as a CH2Cl2 solvate. Its structure is compared with closely related triphenylphosphine-stabilized gold clusters. Characterization by optical extinction spectroscopy, luminescence spectroscopy, voltammetry and DFT calculations was performed to determine the electronic HOMO-LUMO gap. Comparison of its characteristic energies with those of structurally related clusters revealed that the evolution of the HOMO-LUMO gap does not follow a simple scaling law but depends on specific structural features.

引用

页码：975 / 981

页数：7

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