@article{6ab77ae337604c488372b4b74a7c5df2,
title = "X-ray crystal structure and theoretical analysis of Au 25- xAgx(SCH2CH2Ph) 18- alloy",
abstract = "The atomic arrangement of Au and Ag atoms in Au25-xAg x(SR)18 was determined by X-ray crystallography. Ag atoms were selectively incorporated in the 12 vertices of the icosahedral core. The central atom and the metal atoms in the six [-SR-Au-SR-Au-SR-] units were exclusively gold, with 100% Au occupancy. The composition of the crystals determined by X-ray crystallography was Au18.3Ag 6.7(SCH2CH2Ph)18. This composition is in reasonable agreement with the composition Au18.8Ag 6.2(SCH2CH2Ph)18 measured by electrospray mass spectrometry. The structure can be described in terms of shells as
[email protected]@6×[-SR-Au-SR-Au- SR-]. Density functional theory calculations show that the electronic structure and optical absorption spectra are sensitive to the silver atom arrangement within the nanocluster.",
keywords = "Au, alloy nanomolecules, gold-silver alloy, monolayer protected clusters",
author = "Chanaka Kumara and Aikens, {Christine M.} and Amala Dass",
year = "2014",
month = feb,
day = "6",
doi = "10.1021/jz402441d",
language = "English",
volume = "5",
pages = "461--466",
journal = "Journal of Physical Chemistry Letters",
issn = "1948-7185",
publisher = "American Chemical Society",
number = "3",
}