http://hdl.handle.net/20.500.12128/11071
Tytuł: | Theoretical study of cobalt and nickel complexes involved in methyl transfer reactions: structures, redox potentials and methyl binding energies |
Autor: | Sitek, Patrycja Chmielowska, Aleksandra Jaworska, Maria Lodowski, Piotr Szczepańska, Marzena |
Słowa kluczowe: | nickel complexes; cobalt complexes; DFT; redox potentials; methyl transfer |
Data wydania: | 2019 |
Źródło: | "Structural Chemistry" Vol. 30, iss. 5, s. 1957-1970 |
Abstrakt: | Cobalamins, cobalt glyoximate complexes and nickel complexes with Triphos (bis(diphenylphosphinoethyl)phenylphosphine) and PPh2CH2CH2SEt ligands were studied with the DFT/BP86 method in connection with methyl transfer reactions. Geometries, methyl binding energies and redox potentials were determined for the studied complexes. Three- and four-coordinate structures were considered for nickel complex with PPh2CH2CH2SEt ligand, whereas four- and five-coordinate for its methyl derivative. On the basis of calculations, the possible mechanism of methyl transfer reaction between cobalt and nickel complexes was considered. |
URI: | http://hdl.handle.net/20.500.12128/11071 |
DOI: | 10.1007/s11224-019-01384-z |
ISSN: | 1040-0400 1572-9001 |
Pojawia się w kolekcji: | Artykuły (WNŚiT) |
Plik | Opis | Rozmiar | Format | |
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Sitek_Theoretical_Study_Of_Cobalt_And_Nickel_Complexes.pdf | 3,07 MB | Adobe PDF | Przejrzyj / Otwórz |
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