Probing the nature of the Co(III) ion in cobalamins: The ligand substitution reactions of aquacyanocobester, aquacyano(10-nitro)cobester and aquacyano(10-amino)cobester
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- 作者：Nafise Ghadimia ; Christopher B. Perrya ; Penny P. Govenderb ; Helder M. Marquesa ; Helder.Marques@wits.ac.za" class="auth_mail" title="E-mail the corresponding author
- 关键词：Aquacobalamin ; Vitamin B12 ; Co(III) ; Ligand substitution reactions ; Reaction kinetics
- 刊名：Inorganica Chimica Acta
- 出版年：2016
- 出版时间：24 August 2016
- 年：2016
- 卷：450
- 期：Complete
- 页码：269-278
- 全文大小：672 K
文摘
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The electronic structure of corrin is perturbed by substitution at C10.
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DFT calculations are used to show the effect on Co of C10 substitution.
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Affinity for an exogenous ligand is affected by the nature of the C10 substituent.
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The C10 substituent has a profound effect on the rate of axial ligand substitution.
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This demonstrates the importance of cis effects in Co(III) macrocyclic chemistry.