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Syntheses, Structures, and Comprehensive NMR Spectroscopic Investigations of Hetero‐Chalcogenidometallates: The Right Mix toward Multinary Complexes
Author(s) -
Ruzin Eugen,
Zent Eldar,
Matern Eberhard,
Massa Werner,
Dehnen Stefanie
Publication year - 2009
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.200802060
Subject(s) - ternary operation , chemistry , density functional theory , alkali metal , metal , ion , crystallography , transition metal , aqueous solution , inorganic chemistry , computational chemistry , organic chemistry , catalysis , computer science , programming language
Abstract Library of semiconductors : Mixtures of binary chalcogenidostannate anions in protic solution show statistic chalcogenide exchange (see scheme), which is examined by comprehensive NMR investigations, DFT calculations and chemical reactions. A simple approach is provided to generate a library of semiconductor compounds with finely tuned opto‐electronic properties.Aqueous solutions of ternary ortho ‐chalcogenidostannate anions [SnE 1 4− x E 2 x ] 4− (E 1 , E 2 =S, Se, Te) have been generated following different routes that all lead to equilibria of all possible permutations of binary and ternary anions. This has been rationalized by means of NMR studies that can be explained by calculations using density functional theory (DFT) methods. Thus, if one reacts such solutions with transition‐metal ions, quaternary M/Sn/E 1 /E 2 anions are obtained, which exhibit coordination by different ternary chalcogenidostannate ligands. The electronic excitation energies of the corresponding alkali metal salts lie between the E g values of compounds containing either M/Sn/E 1 or M/Sn/E 2 anions. In this way, we provide a simple approach toward a library of semiconductor compounds with finely‐tuned optoelectronic properties.