DataVXThe Journal of Physical Chemistry CPaper
journal article·2017-05-25

Au21S(SAdm)15: Crystal Structure, Mass Spectrometry, Optical Spectroscopy, and First-Principles Theoretical Analysis

Tanya C. Jones, Luca Sementa, Mauro Stener, Kevin J. Gagnon, Viraj Dhanushka Thanthirige, Guda Ramakrishna, Alessandro Fortunelli, Amala Dass

The Journal of Physical Chemistry C· Volume 121· Issue 20
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Source abstract

Abstract

Here we report X-ray crystal structure, spectroscopic and theoretical characterization of Au 21 S(SAdm) 15 (SAdm = adamantanethiol). Single-crystal X-ray diffraction shows that the Au 21 S(SAdm) 15 nanomolecule exhibits a Au 12 cuboctahedral core missing one vertex surrounded by a single μ 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 μ 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.
Source: openalex_inverted_index · Quality: baseline

Research context

Nanomaterials

OpenAlex topics: Nanocluster Synthesis and Applications · Pharmacological Effects and Toxicity Studies · Advanced Nanomaterials in Catalysis

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Chemistry and Biochemistry, University of Mississippi, Oxford, Mississippi 38677, United States

CNR-ICCOM, Consiglio Nazionale delle Ricerche, via G. Moruzzi 1, 56124 Pisa, Italy

Dipartimento di Scienze Chimiche e Farmaceutiche, Università di Trieste, 34127 Trieste, Italy

Advanced Light Source, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720, United States

Department of Chemistry, Western Michigan University, Kalamazoo, Michigan 49008, United States

Funding

Division of Chemistry · American Chemical Society Petroleum Research Fund · Finanziamento di Ateneo per la Ricerca Scientifica, Universit? degli Studi di Trieste

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