Self-induced organic guest packed in three-dimensional architecture based on hetero-alkali metallic sulfonatothiacalix[4]arene

Abstract

The inclusion behavior of pyridine N-oxide in the cavity of hetero-alkalimetallic (Na, K) sulfonatothiacalix[4]arene was studied by single crystal X-ray diffraction. This hetero-alkali metallic host–guest assembly (3) was mainly supported by π–π stacking, S–π interactions and hydrogen bonding. In addition, all metal ions significantly contributed for stabilizing the architecture via coordination with host and guest molecules. We also studied the thermogravimetric analysis, dipole moment and energy gap between frontier molecular orbitals of 3.