Gas‐phase fragmentation of 1‐adamantylbisimidazolium salts and their complexes with cucurbit[7]uril studied using selectively ²H‐labeled guest molecules

Abstract

The structures of two adamantane-based fragments and the mechanisms of their formation were rationalized. Two distinct geometric arrangements for the adamantane cage inside the CB7 cavity were hypothesized to explain the differences in the fragmentation patterns for guests with minimal, moderate, and high steric hindrance. This finding brings new insight into the understanding of intrinsic behavior of the adamantane-based guests inside the CB7 cavity.

Mechanism of sulfonation-induced chain scission of selectively oxidized polysaccharides

“…Besides, the C2 is known to be a preferred target for sulfonation reactions in cellulose (after C6) (Zhang, Brendler, Geissler, & Fischer, 2011). Initially, the model structure of DAC composed from twelve monomeric units in their most abundant form of intramolecular C3-O-C6 hemiacetal was optimized at B3LYP/6-31G(d,p) level of theory, which provided a good results in the past (Babjaková et al, 2016;Čablová et al, 2017). In the following step, the central unit of each structure was modified by C2-SO3H and C2-O-SO3H groups, respectively.…”