芳杂环类多重氢键分子钳人工受体对中性分子的识别性能研究

根据多点氢键识别原理，设计合成了新的分子钳受体1～6。研究了其对巴比妥 、尿素、二苯甲酮、戊二酰亚胺等中性分子的识别性能。用差紫外光谱法测定了结 合常数和自由能变化（ΔG）。结果表明，所有分子钳受体与所考察的客体分子均 形成1：1型超分子配合物，识别作用的推动力主要为多重氢键的协同作用。讨论了 主客体间尺寸/形状、几何互补等因素对形成超分子配合物的影响。并利用~1H NMR、计算机模拟作辅助手段对实验结果和现象进行了解释。

Recognition of Heteroaromatic Molecular Tweezers Involving Multiple Hydrogen-bonding Sites for Neutral Molecules

Six molecular tweezers (1～6) have been synthesized based on the incorporation of multiple hydrogen-bonding groups into the cleft to provide both orientation and selective complexation of substrate. Molecular recognition properties of these receptors for barbiturate, urea, diphenylmethanone and glutarimide have been investigated by UV- visible spectroscopic titration, which indicates that the supramolecular complexes consist of 1:1 host and guest molecules. The main driving forces are the multiple hydrogen bonding in molecular recognition. The molecular recognition ability is discussed from the viewpoint of the size/shape-fit and geometrical complementary relationship. Computer-aided study and ~1H NMR spectroscopy have been employed to elucidate the binding behavior of these molecular tweenzers.