Matches in SemOpenAlex for { <https://semopenalex.org/work/W2570175129> ?p ?o ?g. }
- W2570175129 abstract "The electrochemical synthesis is an underestimated synthesis protocol, which can lead to unexpected results. We obtained an unusual CuI complex salt with a pentanuclear anion and a heptanuclear cation. The anion [Cu5(StBu)6]– features a trigonal prism coordination motif with a twisted arrangement. The cation [Cu7(StBu)6(bipy)3]+ is structurally almost identical to the anion and shares therefore basic building principles. These Cu–S skeletons with additional N donor functions in the cation have relevance to biological copper proteins. Besides structural discussion and analysis, a theoretical study was performed to determine stabilizing effects. This is accomplished by means of DFT with a triple-zeta basis set and the TPSSh functional in order to highlight bonding interactions and to understand d10–d10 interactions, which are assigned a major stabilizing part. This is realized through Wiberg bond analysis and frontier orbital analysis of both ions." @default.
- W2570175129 created "2017-01-13" @default.
- W2570175129 creator A5009620443 @default.
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- W2570175129 creator A5086695468 @default.
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- W2570175129 date "2017-01-02" @default.
- W2570175129 modified "2023-10-05" @default.
- W2570175129 title "Direct Electrochemical Synthesis of an Unusual Complex Salt: Almost Structural Identity - Different Charge" @default.
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- W2570175129 doi "https://doi.org/10.1002/zaac.201600408" @default.
- W2570175129 hasPublicationYear "2017" @default.
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