Ag44(SeR)30: A Hollow Cage Silver Cluster with Selenolate Protection

被引:65
作者
Chakraborty, Indranath [1 ,2 ]
Kurashige, Wataru [3 ]
Kanehira, Keita [3 ]
Gell, Lars [4 ,5 ]
Hakkinen, Hannu [4 ,5 ]
Negishi, Yuichi [3 ]
Pradeep, Thalappil [1 ,2 ]
机构
[1] Indian Inst Technol Madras, DST Unit Nanosci DST UNS, Madras 600036, Tamil Nadu, India
[2] Indian Inst Technol Madras, Dept Chem, Themat Unit Excellence TUE, Madras 600036, Tamil Nadu, India
[3] Tokyo Univ Sci, Dept Appl Chem, Fac Sci, Shinjuku Ku, Tokyo 1628601, Japan
[4] Univ Jyvaskyla, Dept Chem, FI-40014 Jyvaskyla, Finland
[5] Univ Jyvaskyla, Dept Phys, Nanosci Ctr, FI-40014 Jyvaskyla, Finland
来源
JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2013年 / 4卷 / 19期
基金
芬兰科学院;
关键词
CRYSTAL-STRUCTURE; QUANTUM CLUSTERS; GOLD NANOPARTICLE; NANOCLUSTERS; THIOLATE; AG; SIZE; AU;
D O I
10.1021/jz401879c
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
Selenolate protected, stable and atomically precise, hollow silver cluster was synthesized using solid state as well as solution state routes. The optical absorption spectrum shows multiple and sharp features similar to the thiolated Ag-44 cluster, Ag-44(SR)(30) whose experimental structure was reported recently. High-resolution electrospray ionization mass spectrometry. (HRESI MS) shows well-defined molecular ion features with two, three, and four ions with isotopic resolution, due to Ag-44(SePh)(30). Additional characterization with diverse tools confirmed the composition. The closed-shell 18 electron superatom electronic structure, analogous to Ag-44(SePh)(30) stabilizes the dodecahedral cage with a large HOMO-LUMO gap of 0.71 eV. The time dependent density functional theory (TDDFT) prediction of the optical absorption spectrum, assuming the Ag-44(SePh)(30) structure, matches the experimental data, confirming the structure.
引用
收藏
页码:3351 / 3355
页数:5
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