Crystal Structure and Theoretical Analysis of Green Gold Au30(S-tBu)18 Nanomolecules and Their Relation to Au30S(S-tBu)18
| Autor: | Martina De Vetta, Amala Dass, Luca Sementa, Milan Rambukwella, Kevin J. Gagnon, Oscar Baseggio, Edoardo Aprà, Alessandro Fortunelli, Mauro Stener, David Crasto, Tanya C. Jones |
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| Přispěvatelé: | Dass, Amala, Jones, Tanya, Rambukwella, Milan, Crasto, David, Gagnon, Kevin J., Sementa, Luca, De Vetta, Martina, Baseggio, Oscar, Aprà, Edoardo, Stener, Mauro, Fortunelli, Alessandro |
| Rok vydání: | 2016 |
| Předmět: |
Diffraction
Electrospray ionization Surfaces Coatings and Film chemistry.chemical_element 02 engineering and technology Crystal structure 010402 general chemistry 01 natural sciences Coatings and Films Electronic Optical and Magnetic Materials Physical and Theoretical Chemistry Laser desorption ionization mass spectrometry Chemistry Electronic Optical and Magnetic Material 021001 nanoscience & nanotechnology Sulfur 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials Surfaces density functional theory - modeling - theoretical design Crystallography Energy (all) General Energy 0210 nano-technology |
| Zdroj: | Journal of physical chemistry. C 120 (2016): 6256–6261. doi:10.1021/acs.jpcc.6b00062 info:cnr-pdr/source/autori:Dass, Amala; Jones, Tanya; Rambukwella, Milan; Crasto, David; Gagnon, Kevin J.; Sementa, Luca; De Vetta, Martina; Baseggio, Oscar; Apra, Edoardo; Stener, Mauro; Fortunelli, Alessandro/titolo:Crystal Structure and Theoretical Analysis of Green Gold Au-30(S-tBu)(18) Nanomolecules and Their Relation to Au30S(S-tBu)(18)/doi:10.1021%2Facs.jpcc.6b00062/rivista:Journal of physical chemistry. C/anno:2016/pagina_da:6256/pagina_a:6261/intervallo_pagine:6256–6261/volume:120 |
| ISSN: | 1932-7455 1932-7447 |
| Popis: | We report the complete X-ray crystallographic structure as determined through single-crystal X-ray diffraction and a thorough theoretical analysis of the green gold Au-30(S-tBu)(18). While the structure of Au30S(S-tBu)(18) with 19 sulfur atoms has been reported, the crystal structure of Au-30(S-tBu)(18) without the mu(3)-sulfur has remained elusive until now, though matrix-assisted laser desorption ionization mass spectrometry (MALDI-MS) and electrospray ionization mass spectrometry (ESI-MS) data unequivocally show its presence in abundance. The Au-30(S-tBu)(18) nanomolecule not only is distinct in its crystal structure but also has unique temperature-dependent optical properties. Structure determination allows a rigorous comparison and an excellent agreement with theoretical predictions of structure, stability, and optical response. |
| Databáze: | OpenAIRE |
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