Understanding the magic nature of ligand-protected gold nanoparticle Au102(MBA)44

Young Kyu Han; Hyemi Kim; Jaehoon Jung; Young Cheol Choi

doi:10.1021/jp907435s

Understanding the magic nature of ligand-protected gold nanoparticle Au₁₀₂(MBA)₄₄

Young Kyu Han
, Hyemi Kim
, Jaehoon Jung
, Young Cheol Choi

Department of Energy and Materials Engineering

Research output: Contribution to journal › Article › peer-review

25 Scopus citations

Abstract

A recent landmark achievement (Jadzinsky et al. Science 2007, 318, 430) reported the successful crystallization and X-ray measurements of para-mercaptobenzoic acid (p-MBA)-protected gold nanoparticles containing 102 gold atoms and 44 p-MBAs. To gain more insight into the Au₁₀₂(SR) ₄₄ nanoclusters, we have performed density functional calculations for Au₁₀₂(SMe)₄₄ and its neighboring systems. The exceptional stability of Au₁₀₂(SR)₄₄ can be attributed to three coexisting factors: effective staple-motif formation, high stability against dissociation, and a large HOMO-LUMO gap.

Original language	English
Pages (from-to)	7548-7552
Number of pages	5
Journal	Journal of Physical Chemistry C
Volume	114
Issue number	17
DOIs	https://doi.org/10.1021/jp907435s
State	Published - 6 May 2010

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abstract = "A recent landmark achievement (Jadzinsky et al. Science 2007, 318, 430) reported the successful crystallization and X-ray measurements of para-mercaptobenzoic acid (p-MBA)-protected gold nanoparticles containing 102 gold atoms and 44 p-MBAs. To gain more insight into the Au102(SR) 44 nanoclusters, we have performed density functional calculations for Au102(SMe)44 and its neighboring systems. The exceptional stability of Au102(SR)44 can be attributed to three coexisting factors: effective staple-motif formation, high stability against dissociation, and a large HOMO-LUMO gap.",

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AU - Han, Young Kyu

AU - Kim, Hyemi

AU - Jung, Jaehoon

AU - Choi, Young Cheol

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Y1 - 2010/5/6

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AB - A recent landmark achievement (Jadzinsky et al. Science 2007, 318, 430) reported the successful crystallization and X-ray measurements of para-mercaptobenzoic acid (p-MBA)-protected gold nanoparticles containing 102 gold atoms and 44 p-MBAs. To gain more insight into the Au102(SR) 44 nanoclusters, we have performed density functional calculations for Au102(SMe)44 and its neighboring systems. The exceptional stability of Au102(SR)44 can be attributed to three coexisting factors: effective staple-motif formation, high stability against dissociation, and a large HOMO-LUMO gap.

UR - https://www.scopus.com/pages/publications/77951914478

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JF - Journal of Physical Chemistry C

IS - 17

ER -

Understanding the magic nature of ligand-protected gold nanoparticle Au₁₀₂(MBA)₄₄

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