Revisiting cyclophanes: experimental characterization and theoretical elucidation of the chain length influence on their structure and reactivity
NEW JOURNAL OF CHEMISTRY(2022)
摘要
A theoretical study of [n]paracyclophanes and dioxa[n]paracyclophanes was performed by means of DFT calculations. The geometrical parameters and reactivity indexes were analyzed for chain lengths between 4 and 18 atoms in order to rationalize the best candidates as functional molecules, regarding their major stability. The most stable member of each series, determined through the mentioned theoretical criteria, were synthesized employing improved approaches of previously reported procedures. Hence, better yields were achieved in both cases: from 3% to 8% in the case of (1,4)-benzenecycloundecaphane, and from 4% to 15% in the case of 2,11-dioxa-1(1,4)-benzenecycloundecaphane.
更多查看译文
AI 理解论文
溯源树
样例
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要