Cryogenic Ion Vibrational Predissociation (CIVP) Spectroscopy of Aryl Cobinamides in the Gas Phase: How Good Are the Calculations for Vitamin B12 Derivatives?
Alexandra Tsybizova,
Lukas Fritsche,
Larisa Miloglyadova
et al.
Abstract:Aryl corrins represent a novel class of designed B 12 derivatives with biological properties of "antivitamins B 12 ". In our previous study, we experimentally determined bond strength in a series of aryl-corrins by the threshold collision-induced dissociation experiments (T-CID) and compared the measured bond dissociation energies (BDEs) with those calculated with density functional theory (DFT). We found that the BDEs are modulated by the side chains around the periphery of the corrin unit. Given that aryl co… Show more
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