Tangential ligand-induced strain in Icosahedral Au13

被引：30

作者：

Guliamov, Olga

Frenkel, Anatoly I.

Menard, Laurent D.

Nuzzo, Ralph G.

Kronik, Leeor ^{[1
]}

机构：

[1] Weizmann Inst Sci, Dept Mat & Interfaces, IL-76100 Rehovot, Israel

[2] Yeshiva Univ, Dept Phys, New York, NY 10016 USA

[3] Univ Illinois, Sch Chem Sci & Frederick, Seitz Mat Res Lab, Urbana, IL 61801 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2007年 / 129卷 / 36期

关键词：

D O I：

10.1021/ja0725706

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A quantitative comparison of first principles calculations with extended X-ray absorption fine structure and transmission electron microscopy measurements provides strong evidence that Au-13 nanocrystals are stabilized in a slightly distorted icosahedral structure by on-top phosphine ligands and a combination of on-top and bridging thiol ligands. Importantly, the ligands change the icosahedral strain (i.e., the radial-tangential bond length ratio) significantly, with the tangential bonds within the Au core exhibiting much more disorder than the radial ones.

引用

收藏

页码：10978 / +

页数：3

相关论文

共 24 条

[1] CRYSTAL AND MOLECULAR STRUCTURE OF TRI-IODOHEPTAKIS(TRI-PARA-FLUOROPHENYL-PHOSPHINE)UNDECAGOLD [J].

BELLON, P ;

SANSONI, M ;

MANASSERO, M .

JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1972, (14) :1481-+

[2] NOVEL GOLD CLUSTERS - PREPARATION, PROPERTIES, AND X-RAY STRUCTURE DETERMINATION OF SALTS OF OCTAKIS(TRIARYLPHOSPHINE)ENNEAGOLD, [AU9L8]X3 [J].

BELLON, PL ;

CARIATI, F ;

MANASSERO, M ;

NALDINI, L ;

SANSONI, M .

JOURNAL OF THE CHEMICAL SOCIETY D-CHEMICAL COMMUNICATIONS, 1971, (22) :1423-+

[3] Density functional study of structural and electronic properties of bimetallic silver-gold clusters: Comparison with pure gold and silver clusters [J].

Bonacic-Koutecky, V ;

Burda, J ;

Mitric, R ;

Ge, MF ;

Zampella, G ;

Fantucci, P .

JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (07) :3120-3131

[4] QUANTUM-CHEMISTRY OF SMALL CLUSTERS OF ELEMENTS OF GROUP-IA, GROUP-IB, AND GROUP-IIA - FUNDAMENTAL-CONCEPTS, PREDICTIONS, AND INTERPRETATION OF EXPERIMENTS [J].

BONACICKOUTECKY, V ;

FANTUCCI, P ;

KOUTECKY, J .

CHEMICAL REVIEWS, 1991, 91 (05) :1035-1108

[5] Alternative low-symmetry structure for 13-atom metal clusters [J].

Chang, CM ;

Chou, MY .

PHYSICAL REVIEW LETTERS, 2004, 93 (13) :133401-1

[6] Theoretical study of Cu-Au nanoalloy clusters using a genetic algorithm [J].

Darby, S ;

Mortimer-Jones, TV ;

Johnston, RL ;

Roberts, C .

JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (04) :1536-1550

[7] SYNTHESIS, STRUCTURE, AND PROPERTIES OF MODEL ORGANIC-SURFACES [J].

DUBOIS, LH ;

NUZZO, RG .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1992, 43 :437-463

[8] A view from the inside: Complexity in the atomic scale ordering of supported metal nanoparticles [J].

Frenkel, AI ;

Hills, CW ;

Nuzzo, RG .

JOURNAL OF PHYSICAL CHEMISTRY B, 2001, 105 (51) :12689-12703

[9]

Frisch M. J., 2004, GAUSSIAN 03

[10] Do thiols merely passivate gold nanoclusters? [J].

Garzón, IL ;

Rovira, C ;

Michaelian, K ;

Beltrán, MR ;

Ordejón, P ;

Junquera, J ;

Sánchez-Portal, D ;

Artacho, E ;

Soler, JM .

PHYSICAL REVIEW LETTERS, 2000, 85 (24) :5250-5251