Cryogenic Ion Vibrational Predissociation (CIVP) Spectroscopy of Aryl Cobinamides in the Gas Phase: How Good Are the Calculations for Vitamin B₁₂ Derivatives?

ABSTRACT: Aryl corrins represent a novel class of designed B₁₂ derivatives with biological properties of "antivitamins B₁₂". 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 cobinamides have many side chains that increase their conformational space and that the question of a specific structure, measured in the gas phase, was important for further evaluation of our T-CID experiment, we proceeded to analyze structural properties of aryl cob

SUBMITTER: Tsybizova A 

PROVIDER: S-EPMC10510309 | biostudies-literature | 2023 Sep

REPOSITORIES: biostudies-literature