SCHEDULED MAINTENANCE
Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis†
Abstract
Described are two experimental findings: (1) selective CO2 uptake by dipeptide-based molecular crystals of Boc-L-methionyl-L-alanine methyl ester 1 with seemingly nonporous crystal architecture and (2) its CO2 sorption state successfully visualized at the atomic level by means of in situ X-ray crystallographic analysis. More important was the latter, from which intermolecular interactions between CO2 and the surrounding molecules of 1 in the crystal were analyzed by ab initio calculations, indicating that attraction between them was mainly composed of a dispersion force. In addition, a comparison study of the crystal structure of 1 with those of analogous dipeptide crystals (isomorphous with 1) demonstrated that the thermal fluctuations of the dipeptide molecules in the solid state triggered CO2 permeation into the isolated voids present in the crystal lattice of 1.
Please wait while we load your content...
