Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound

摘要: Single crystal X-ray diffraction data measured at 100 K for Dianin’s compound (DC) and 18 of its clathrates formed with a wide range guest molecules provide considerable insight into the way host adjusts to accommodate molecules. Detailed information is also obtained regarding location, orientation, dynamics guests in cavity. Although all unit cells are closely similar size, undergoes significant change response imprisonment various guests. Enclathration typically results larger cell cavity volume, but small methanol, ethanol, nitromethane actually shrinks significantly around In most clathrates, there evidence close contacts between atoms phenol −OH group and/or ring DC host. The series by benzene, toluene, halobenzenes show orientation benzene be progressively modifed increasing size of...