A Heterobimetallic Pd–Zn Complex: Study of a d8–d10 Bond in Solid State, in Solution, and in Silico
| Autor: | Peter Chen, Raphael J. Oeschger |
|---|---|
| Rok vydání: | 2017 |
| Předmět: |
Diffraction
010405 organic chemistry Negishi coupling Chemistry In silico Organic Chemistry Crystal structure 010402 general chemistry 01 natural sciences Dissociation (chemistry) Transition state 0104 chemical sciences Inorganic Chemistry Crystallography Transmetalation Physical and Theoretical Chemistry Bimetallic strip |
| Zdroj: | Organometallics. 36:1465-1468 |
| ISSN: | 1520-6041 0276-7333 |
| DOI: | 10.1021/acs.organomet.7b00113 |
| Popis: | A heterobimetallic Pd(II)–Zn(II) complex has been prepared and characterized by X-ray diffraction analysis. An accompanying computational study shows that the bimetallic complex is predominantly stabilized by a short metal–metal bond; ΔG for the reversible dissociation of that bond in solution could be quantified by NMR-titration experiments. A comparison of the experimental crystal structure with previously calculated structures of intermediates and transition states for transmetalation in the Negishi coupling reveals close similarity. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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