论文部分内容阅读
黄芩素磺酸根与钙离子在水溶液中自组装得到黄芩素-8-磺酸钙[Ca(H2O)6(C15H9O5SO3)][C15H9O5SO3].8H2O单晶,采用单晶X射线衍射对其组成和结构进行了研究。单晶衍射分析表明:黄芩素-8-磺酸钙属三斜晶系,空间群P1;结构中包含2个黄芩素-8-磺酸根阴离子、1个钙离子、6分子配位水和8分子结晶水。配位水、结晶水和黄酮骨架上的磺酸根、酚羟基、羰基之间以多种氢键相连,黄酮骨架之间存在π…π芳香堆积作用。配位作用、π…π芳香堆积、氢键以及阴阳离子间的静电引力将黄芩素-8-磺酸钙自组装成具有三维结构的超分子。
Self-assembly of Baicalein Sulfonate and Calcium Ion in Aqueous Solution to Obtain Baicale-8-Sodium Calcium [Ca(H2O)6(C15H9O5SO3)][C15H9O5SO3].8H2O Single Crystals, Single Crystal X-Ray Diffraction and Their Composition and Structure Were studied. Single crystal diffraction analysis showed that safrole-8-sulfonic acid calcium is triclinic and space group P1; the structure contains two safrole-8-sulphonate anions, one calcium ion, six molecules of coordinated water and eight Molecular crystal water. The sulfonic acid groups, phenolic hydroxyl groups, and carbonyl groups on the coordination water, crystal water, and flavonoid skeleton are connected by a variety of hydrogen bonds, and π...π aromatic stacking exists between the flavonoid skeletons. The coordination effect, π...π aromatic stacking, hydrogen bonding, and electrostatic attraction between anions and cations allow self-assembly of baicalein-8-sulfonate calcium into a supramolecular structure with three-dimensional structure.