Pyrazine motif containing hexagonal macrocycles: synthesis, characterization, and host-guest chemistry with nitro aromatics.

摘要: The synthesis and characterization of cationic two-dimensional metallamacrocycles having a hexagonal shape cavity are described. Both macrocycles utilize pyrazine motif containing an organometallic acceptor tecton with platinum(II) centers along different donor ligands. While one macrocycle is relatively larger [6 + 6], the other smaller [2 2] polygon. A unique feature ensemble that it irregular polygon in which all six edges not equal length. Molecular modeling these confirmed presence cavities. ability π-electron rich to act as potential hosts for electron deficient nitroaromatics (DNT = 2,4-dinitrotoluene PA picric acid) has been studied using isothermal titration calorimetry (ITC) tool. dynamics simulation studies were subsequently performed gain critical insight into binding interactions between nitroaromatic guest molecules (PA/DNT) the...