{[CuSn5Sb3](2-)}(2): A Dimer of Inhomogeneous Superatoms

Wilson, Robert J. and Broeckaert, Lies and Spitzer, Fabian and Weigend, Florian and Dehnen, Stefanie (2016) {[CuSn5Sb3](2-)}(2): A Dimer of Inhomogeneous Superatoms. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 55 (39). pp. 11775-11780. ISSN 1433-7851, 1521-3773

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Abstract

Reaction of the binary Zintl anion (Sn2Sb2)(2-) with the beta-diketiminato complex [LCu(NCMe)] (L= nacnac= [(N((C6H3Pr2)-Pr-i-2,6)C(Me))(2)CH](-)) in ethylenediamine or DMF affords the ternary cluster dimer {[CuSn5Sb3](2-)}(2) (1) as its [K(crypt-222)](+) salt. The chemical formulation of 1 is supported by energy-dispersive X-ray spectroscopy (EDX) and quantum chemical calculations. Each monomeric part of the dimer represents a trimetallic "[CuSn5Sb3](2-)" cluster, with an architecture in between a tricapped trigonal prism and a capped square antiprism. As shown by quantum chemical investigations, the presence of Sb atoms and, in particular, of Cu atoms in the cluster skeleton makes the monomeric unit behave like an inhomogeneous superatom, which clearly prefers to dimerize, thereby producing a relatively short, yet virtually non-bonding Cu center dot center dot center dot Cu distance.

Item Type: Article
Uncontrolled Keywords: 9-ATOM GERMANIUM CLUSTERS; GE-9(4-) ZINTL ANIONS; INTERMETALLOID CLUSTERS; CRYSTAL-STRUCTURE; SPHERICAL AROMATICITY; WAVE-FUNCTIONS; LINEAR TRIMER; HARTREE-FOCK; TERNARY; BINARY; antimony; cluster compounds; copper; DFT calculations; tin
Subjects: 500 Science > 540 Chemistry & allied sciences
Divisions: Chemistry and Pharmacy > Institut für Anorganische Chemie
Depositing User: Dr. Gernot Deinzer
Date Deposited: 15 Mar 2019 09:37
Last Modified: 15 Mar 2019 09:37
URI: https://pred.uni-regensburg.de/id/eprint/3284

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