Abstract
Unimolecular dissociation mechanisms of polysaccharide ions are typically separated into three groups: cross-ring cleavages (forming A/X ions), and those resulting from cleaving different sides of the glycosidic bond (forming B/Y ions) and (C/Z ions). In this study, the relative energetics of the first steps of the cross-ring cleavage and both glycosidic bond cleavage channels for isomaltotriose, [glc(α1-6)glc(α1-6)glc], as well as a minor water loss channel were explored using density functional theory (DFT) calculations at the B3LYP/6-31+g(d) level of theory. RRKM approximations of the competing rate constants indicate that charge-remote reactions have energy barriers and activation entropies that deny them competition with charge-directed reactions in this example.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
