Chemical methylation of germanium(II) in model aqueous solutions
β Scribed by H P Mayer; S Rapsomanikis
- Publisher
- John Wiley and Sons
- Year
- 1992
- Tongue
- English
- Weight
- 498 KB
- Volume
- 6
- Category
- Article
- ISSN
- 0268-2605
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β¦ Synopsis
Inorganic germanium(I1) in micromolar concentrations was reacted with methyl iodide (CH3J) and methylcobalamin (CHJ-CoB,,) at various pH values and with different salt matrices. In all experiments monomethylgermanium was the only product. The reaction with CH,-CoB,, at pH1 yielded approximately 1.3% of the added germanium, whereas no methylation occurred at pH 7. Reaction yields with CHJ were lowest at pH 1 in 0.1 mol dm-3 KCI (1.6%) and highest at pH 7.6 in artificial seawater (6%). For the reaction of CH3-CoB,, with germanium(I1) a free-radical mechanism is assumed, whereas methylation by CH31 is most likely an oxidative addition mechanism.
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## Abstract ^59^Co chemical shifts were computed at the GIAOβB3LYP level for [Co(CN)~6~]^3β^, [Co(H~2~O)~6~]^3+^, [Co(NH~3~)~6~]^3+^, and [Co(CO)~4~]^β^ in water. The aqueous solutions were modeled by CarβParrinello molecular dynamics (CPMD) simulations, or by propagation on a hybrid quantumβmechan