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Mitzinger S, Broeckaert L, Massa W, et al. Understanding of multimetallic cluster growth. Nat Commun. 2016;7:10480doi: 10.1038/ncomms10480.
Mitzinger, S., Broeckaert, L., Massa, W., Weigend, F., & Dehnen, S. (2016). Understanding of multimetallic cluster growth. Nature communications, 710480. https://doi.org/10.1038/ncomms10480
Mitzinger, Stefan, et al. "Understanding of multimetallic cluster growth." Nature communications vol. 7 (2016): 10480. doi: https://doi.org/10.1038/ncomms10480
Mitzinger S, Broeckaert L, Massa W, Weigend F, Dehnen S. Understanding of multimetallic cluster growth. Nat Commun. 2016 Jan 25;7:10480. doi: 10.1038/ncomms10480. PMID: 26805602; PMCID: PMC4737759.
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Nat Commun. 2016 Jan 25;7:10480. doi: 10.1038/ncomms10480.

Understanding of multimetallic cluster growth.

Nature communications

Stefan Mitzinger, Lies Broeckaert, Werner Massa, Florian Weigend, Stefanie Dehnen

Affiliations

  1. Fachbereich Chemie and Wissenschaftliches Zentrum für Materialwissenschaften, Universität Marburg, Hans-Meerwein-Straße, D-35043 Marburg, Germany.
  2. Institut für Nanotechnologie, Karlsruher Institut für Technologie, Hermann-von-Helmholtz Platz 1, D-76344 Eggenstein-Leopoldshafen, Germany.

PMID: 26805602 PMCID: PMC4737759 DOI: 10.1038/ncomms10480

Abstract

The elucidation of formation mechanisms is mandatory for understanding and planning of synthetic routes. For (bio-)organic and organometallic compounds, this has long been realized even for very complicated molecules, whereas the formation of ligand-free inorganic molecules has widely remained a black box to date. This is due to poor structural relationships between reactants and products and the lack of structurally related intermediates--due to the comparably high coordination flexibility of involved atoms. Here we report on investigations of the stepwise formation of multimetallic clusters, based on a series of crystal structures and complementary quantum-chemical studies of (Ge2As2)(2-), (Ge7As2)(2-), [Ta@Ge6As4](3-), [Ta@Ge8As4](3-) and [Ta@Ge8As6](3-). The study makes use of efficient quantum-chemical tools, enabling the first detailed screening of the energy hypersurface along the formation of ligand-free inorganic species for a semi-quantitative picture. The results can be generalized for an entire family of multimetallic clusters.

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