Abstract Two macrocycle derivatives (1 and 2) from the modification of 1,4,8,11-tetraazacyclotetradecane (cyclam) have been synthesized and structurally characterized. The synthesis was straightforward and led to the production of the final products at high yields and purity. Central rings of both compounds at solid state display a chair conformation with the substituents dangling around the cyclam ring. The binding cavity radii from the crystal structures are 1.349 A in the unsubstituted precursor cyclam, 1.926 A in 1, and 2.140 A in 2. A computational study provided similar bond matrices but slightly larger cavity sizes, likely as a result of the spacious environment and elasticity of the molecules at gas phase. This research provided an intensive look into the modification of polyamine, which further implicates how the molecule could be manipulated to adjust its properties and functions.

中文翻译：

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两种环芳烃衍生物的合成与结构分析

摘要 合成了 1,4,8,11-四氮杂环十四烷 (cyclam) 修饰的两种大环衍生物 (1 和 2) 并对其进行了结构表征。合成很简单，并导致以高产率和纯度生产最终产品。两种化合物在固态时的中心环都显示椅式构象，取代基悬挂在环芳烃环周围。来自晶体结构的结合腔半径在未取代的前体环己基酰胺中为 1.349 A，在 1 中为 1.926 A，在 2 中为 2.140 A。计算研究提供了类似的键矩阵，但腔尺寸稍大，这可能是由于宽敞的环境和气相分子的弹性。该研究深入研究了多胺的改性，