期刊
INORGANIC CHEMISTRY
卷 48, 期 7, 页码 2714-2716出版社
AMER CHEMICAL SOC
DOI: 10.1021/ic8024638
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资金
- DINPO-UGTO [00054/07]
- Conacyt [57892]
- National Research School Combination-Catalysis (NRSC-C)
- The Netherlands Organization for Scientific Research (NWO-CW)
Here, we address the problem of stabilizing a new helicoid ferrocene. Of course, to obtain a helical complex, it is essential to design suitable organic ligands. The ligands should possess the correct symmetry to match the geometrical requirement of the metal center. We propose in silico a beautiful helix that consists of one polycyclic hydrocarbon composed of 10 fused cyclopentadiene rings bound on opposite sides of an iron atom. The nature of the metal-ligand interactions between Fe2+ and the ligand was investigated with energy decomposition analysis. Our results provide strong evidence for the viability of the hitherto unknown helicoid ferrocene as a target for synthesis.
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