Carbon dioxide binding at a Ni/Fe center: synthesis and characterization of Ni(η1-CO2-κC) and Ni-μ-CO2-κC:κ2 O,O′-Fe† †Electronic supplementary information (ESI) available: Characterization data for 3 and 5. CCDC 1492006 and 1492007. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6sc03450k Click here for additional data file. Click here for additional data file.
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چکیده
Experimental Section Figure S1. 1H NMR spectrum of {Na(12-C-4)2}{(PNP)Ni-η-COO-κC} (3). Figure S2. 13C NMR spectrum of {Na(12-C-4)2}{(PNP)Ni-η-COO-κC} (3). Figure S3. 31P NMR spectrum of {Na(12-C-4)2}{(PNP)Ni-η-COO-κC} (3). Figure S4. 1H NMR spectrum of (PNP)Ni-μ-CO2-κC:κO,O’-Fe(PNP) (5). Figure S5. Solid-state structure of 3. Table S1. Selected bond distances and angles for 3. Figure S6. Solid-state structure of 5. Table S2. Selected bond distances and angles for 5. Figure S7. UV-Vis spectra of 3. Figure S8. UV-Vis spectra of 5. Figure S9. IR spectra of 1, 2 and 3. Figure S10. IR spectra of 4 and 5. Figure S11. DFT calculated HOMO for 3. Figure S12. Electronic structures for 3 and 1. Table S3. Selected Wiberg bond indices for (dtbpe)Ni(CO2), (PPP)Ni(CO2), 3, 1 and 5. Figure S13. Mülliken atomic spin density plot derived from the DFT calculation of 5. References
منابع مشابه
Carbon dioxide binding at a Ni/Fe center: synthesis and characterization of Ni(η1-CO2-κC) and Ni-μ-CO2-κC:κ2O,O'-Fe.
The degree of CO2 activation can be tuned by incorporating a distinct electronic coordination environment at the nickel center. A mononuclear nickel carboxylate species (Ni-CO2, 3) and a dinuclear nickel-iron carboxylate species (Ni-CO2-Fe, 5) were prepared. The structure of 3 reveals a rare η1-κC binding mode of CO2, while that of 5 shows bridging CO2 binding (μ2-κC:κ2O,O') between the nickel ...
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عنوان ژورنال:
دوره 8 شماره
صفحات -
تاریخ انتشار 2017