Au21S(SAdm)15: Crystal Structure, Mass Spectrometry, Optical Spectroscopy, and First-Principles Theoretical Analysis
| Autor: | Luca Sementa, Alessandro Fortunelli, Amala Dass, Kevin J. Gagnon, Viraj Dhanushka Thanthirige, Mauro Stener, Guda Ramakrishna, Tanya C. Jones |
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| Přispěvatelé: | Jones, Tanya C., Sementa, Luca, Stener, Mauro, Gagnon, Kevin J., Thanthirige, Viraj Dhanushka, Ramakrishna, Guda, Fortunelli, Alessandro, Dass, Amala |
| Jazyk: | angličtina |
| Rok vydání: | 2017 |
| Předmět: |
Diffraction
Sulfide metal nanoclusters gold clusters DFT TDDFT photoabsorption chemistry.chemical_element anisotropic nanoclusters 02 engineering and technology Crystal structure 010402 general chemistry Mass spectrometry 01 natural sciences gold cluster monolayer-protected clusters chemistry.chemical_compound Physical and Theoretical Chemistry Ionization mass spectrometry Spectroscopy theory optical response chemistry.chemical_classification 021001 nanoscience & nanotechnology Sulfur 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials Crystallography General Energy Monomer chemistry 0210 nano-technology |
| Zdroj: | Journal of physical chemistry. C 121 (2017): 10865–10869. doi:10.1021/acs.jpcc.6b12075 info:cnr-pdr/source/autori:Jones, Tanya C.; Sementa, Luca; Stener, Mauro; Gagnon, Kevin J.; Thanthirige, Viraj Dhanushka; Ramakrishna, Guda; Fortunelli, Alessandro; Dass, Amala/titolo:Au21S(SAdm)(15): Crystal Structure, Mass Spectrometry, Optical Spectroscopy, and First-Principles Theoretical Analysis/doi:10.1021%2Facs.jpcc.6b12075/rivista:Journal of physical chemistry. C/anno:2017/pagina_da:10865/pagina_a:10869/intervallo_pagine:10865–10869/volume:121 |
| Popis: | Here we report X-ray crystal structure, spectroscopic and theoretical characterization of Au21S(SAdm)(18) (SAdm = adamantanethiol). Single-crystal X-ray diffraction shows that the Au21S(SAdm)(15) nanomolecule exhibits a Au-12 cuboctahedral core missing one vertex surrounded by a single mu(3) sulfur atom (sulfide), five bridging thiols, two additional Au atoms, one monomeric Au(SR)(2), and two trimeric Au-3(SR)(4) staples, with the two trimeric staples being linked through a Au-2(SR) unit with a thiolate ligand in mu(4) coordination. Compositional, electronic, optical, and structural features of this compound are clarified via nanoelectrospray ionization mass spectrometry (nESI-MS), matrix-assisted laser desorption ionization mass spectrometry (MALDI-MS), low-temperature UV- vis spectroscopy, and first-principles analysis. |
| Databáze: | OpenAIRE |
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