Crystal Structure and Theoretical Analysis of Green Gold Au 30 (S- t Bu) 18 Nanomolecules and Their Relation to Au 30 S(S- t Bu) 18

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 Au30(S-tBu)18. While the structure of Au30S(S-tBu)18 with 19 sulfur atoms has been reported, the crystal structure of Au30(S-tBu)18 wit...

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Bibliographic Details
Published in:Journal of physical chemistry. C 2016-03, Vol.120 (11), p.6256-6261
Main Authors: Dass, Amala, Jones, Tanya, Rambukwella, Milan, Crasto, David, Gagnon, Kevin J., Sementa, Luca, De Vetta, Martina, Baseggio, Oscar, Aprà, Edoardo, Stener, Mauro, Fortunelli, Alessandro
Format: Article
Language:English
Subjects:
Environmental Molecular Sciences Laboratory
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Summary: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 Au30(S-tBu)18. While the structure of Au30S(S-tBu)18 with 19 sulfur atoms has been reported, the crystal structure of Au30(S-tBu)18 without the μ3-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 shows its presence in abundance. The Au30(S-tBu)18 nanomolecule is not only distinct in its crystal structure but 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.
ISSN:1932-7447
1932-7455
DOI:10.1021/acs.jpcc.6b00062