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Single Crystal XRD Structure and Theoretical Analysis of the Chiral Au~30~S(S- t -Bu)~18~ Cluster by David Crasto; Sami Malola; Grace Brosofsky; Amala Dass; Hannu Häkkinen is a Chemistry article available to read on EtoBox.

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Au 30 S(S-t-Bu) 18 cluster, related closely to the recently isolated "green gold" compound Au 30 (S-t-Bu) 18 , has been structurally solved via singlecrystal XRD and analyzed by density functional theory calculations. The molecular protecting layer shows a combination of monomeric (RS-Au-SR) and trimeric (RS-Au-SR-Au-SR-Au-SR) gold-thiolate units, bridging thiolates, and a single sulfur (sulfide) in a novel μ 3 -coordinating position. The chiral gold core has a geometrical component that is identical to the core of the recently reported Au 28 (SPh-t-Bu) 20 . Both enantiomers of Au 30 S(S-t-Bu) 18 are found in the crystal unit cell. The calculated CD spectrum bears a close resemblance to that of Au 28 (SPh-t-Bu) 20 . This is the first time when two structurally characterized thiol-stabilized gold clusters are found to have such closely related metal core structures and the results may increase understanding of the formation of gold clusters when stabilized by bulky thiolates.

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Author

David Crasto; Sami Malola; Grace Brosofsky; Amala Dass; Hannu Häkkinen

Publisher

American Chemical Society (ACS)

Published

2014

Language

EN

Field

Chemistry (Physical Sciences)