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Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26838
Abstract: The geometries, electronic structures, and bonding properties of the title endohedral Zintl clusters have been studied by using ab initio calculations. [Fe@Ge10]4− and [Co@Ge10]3− have D5h‐symmetric pentagonal prismatic structure and [Fe@Sn10]4− adopts the C2v‐symmetric structure…
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Keywords:
electronic structures;
structures bonding;
geometries electronic;
bonding properties ... See more keywords
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Published in 2018 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.7b02620
Abstract: The binary cluster [Co@Sn9]4- (1) was extracted directly from ethylenediamine (en) solutions of an intermetallic precursor with nominal composition "K5Co3Sn9", and its reactions with various organometallic reagents were explored. Reaction with Ni(PPh3)2(CO)2 gives [Co@Sn9Ni(CO)]3- (2),…
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Keywords:
ternary functionalized;
functionalized zintl;
transition;
transition metal ... See more keywords
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3
Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.1c10106
Abstract: We report here the structure of an endohedral plumbaspherene, [Cu4Pb22]4-, the gold analogue of which was previously postulated to be a "missing link" in the growth of larger clusters containing three and four icosahedral subunits.…
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Keywords:
growth;
link growth;
plumbaspherene cu4pb22;
missing link ... See more keywords