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Co-C Bond Energies in Adenosylcobinamide and Methylcobinamide in the Gas Phase and in Silico.

Essential to biological activity of adenosylcobalamin (AdoCbl) and methylcobalamin (MeCbl) is the Co-C bond cleavage step. Hence, we report an accurate determination of the homolytic gas-phase Co-C bond dissociation energies in the related adenosyl- and methylcobinamides (41.5 ± 1.2 and 44.6 ± 0.8 k...

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Published in:Journal of the American Chemical Society Vol. 135; no. 37; pp. 15648 - 15652
Main Authors: Kobylianskii, Ilia J., Widner, Florian J., Kräutler, Bernhard, Chen, Peter
Format: Article
Published: American Chemical Society 9/18/2013
Subjects:
Chemical bonds
Gas phase reactions
Scission (Chemistry)
Dissociation (Chemistry)
Electronic structure
Solvents
Density functional theory
Online Access:View this record in EBSCOhost