X-ray Crystal Structure and Theoretical Analysis of Au25-xAgx(SCH2CH2Ph)18- Alloy

被引：201

作者：

Kumara, Chanaka ^{[1
]}

Aikens, Christine M. ^{[2
]}

Dass, Amala ^{[1
]}

机构：

[1] Univ Mississippi, Dept Chem & Biochem, Oxford, MS 38677 USA

[2] Kansas State Univ, Dept Chem, Manhattan, KS 66506 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2014年 / 5卷 / 03期

基金：

美国国家科学基金会;

关键词：

OPTICAL-ABSORPTION SPECTRA; PROTECTED AU-25; ELECTRONIC-STRUCTURE; NANOPARTICLES; CLUSTERS;

D O I：

10.1021/jz402441d

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The atomic arrangement of Au and Ag atoms in Au25-xAgx(SR)(18) was determined by X-ray crystallography. Ag atoms were selectively incorporated in the 12 vertices of the icosahedral core. The central atom and the metal atoms in the six [-SR-Au-SR-Au-SR-] units were exclusively gold, with 100% Au occupancy. The composition of the crystals determined by X-ray crystallography was Au18.3Ag6.7(SCH2CH2Ph)(18). This composition is in reasonable agreement with the composition Au18.8Ag6.2(SCH2CH2Ph)(18) measured by electrospray mass spectrometry. The structure can be described in terms of shells as Au-1@Au5.3Ag6.7@6X[-SR-Au-SR-Au-SR-]. Density functional theory calculations show that the electronic structure and optical absorption spectra are sensitive to the silver atom arrangement within the nanocluster.

引用

页码：461 / 466

页数：6

共 20 条

[1] X-ray Crystal Structure of Au38-xAgx(SCH2CH2Ph)24 Alloy Nanomolecules
Kumara, Chanaka
Gagnon, Kevin J.
Dass, Amala
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2015, 6 (07): : 1223 - 1228
[2] Unexpected reactivity of Au25(SCH2CH2Ph)18 nanoclusters with salts
Zhu, Manzhou
Chan, Gerentt
Qian, Huifeng
Jin, Rongchao
NANOSCALE, 2011, 3 (04) : 1703 - 1707
[3] Ion Mobility Mass Spectrometry of Au25(SCH2CH2Ph)18 Nanoclusters
Angel, Laurence A.
Majors, Lance T.
Dharmaratne, Asantha C.
Dass, Amala
ACS NANO, 2010, 4 (08) : 4691 - 4700
[4] Molecular mechanism for the activation of Au25(SCH2CH2Ph)18 nanoclusters by imidazolium-based ionic liquids for catalysis
Abroshan, Hadi
Li, Gao
Lin, Jizhi
Kim, Hyung J.
Jin, Rongchao
JOURNAL OF CATALYSIS, 2016, 337 : 72 - 79
[5] A revisit to the structure of Au20(SCH2CH2Ph)16: a cubic nanocrystal-like gold kernel
Wang, Pu
Sun, Xiangxiang
Liu, Xia
Xiong, Lin
Ma, Zhongyun
Wang, Yong
Pei, Yong
NANOSCALE, 2018, 10 (22) : 10357 - 10364
[6] Thiolate Ligands as a Double-Edged Sword for CO Oxidation on CeO2 Supported Au25(SCH2CH2Ph)18 Nanoclusters
Wu, Zili
Jiang, De-en
Mann, Amanda K. P.
Mullins, David R.
Qiao, Zhen-An
Allard, Lawrence F.
Zeng, Chenjie
Jin, Rongchao
Overbury, Steven H.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2014, 136 (16) : 6111 - 6122
[7] Transformation from [Au25(SCH2CH2CH2CH3)18]0 to Au28(SCH2CH(CH3)Ph)21 gold nanoclusters: gentle conditions is enough
Wang, Yanan
Nieto-Ortega, Belen
Buergi, Thomas
CHEMICAL COMMUNICATIONS, 2019, 55 (99) : 14914 - 14917
[8] Synthesis of Au38(SCH2CH2Ph)24, Au36(SPh-tBu)24, and Au30(S-tBu)18 Nanomolecules from a Common Precursor Mixture
Rambukwella, Milan
Dass, Amala
LANGMUIR, 2017, 33 (41) : 10958 - 10964
[9] Au24(SAdm)16 Nanomolecules: X-ray Crystal Structure, Theoretical Analysis, Adaptability of Adamantane Ligands to Form Au23(SAdm)16 and Au25(SAdm)16, and Its Relation to Au25(SR)18
Crasto, David
Barcaro, Giovanni
Stener, Mauro
Sementa, Luca
Fortunelli, Alessandro
Dass, Amala
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2014, 136 (42) : 14933 - 14940
[10] Au36(SPh)24 Nanomolecules: X-ray Crystal Structure, Optical Spectroscopy, Electrochemistry, and Theoretical Analysis
Nimmala, Praneeth Reddy
Knoppe, Stefan
Jupally, Vijay Reddy
Delcamp, Jared H.
Aikens, Christine M.
Dass, Amala
JOURNAL OF PHYSICAL CHEMISTRY B, 2014, 118 (49) : 14157 - 14167

← 1 2 →