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首页> 外文期刊>Bulletin of the Chemical Society of Japan >Structrual Eleculdation of 1,3-Phenylenebis(methylene)-Bridged Calix[6]arenes with Four Uncapped Hydroxy Groups
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Structrual Eleculdation of 1,3-Phenylenebis(methylene)-Bridged Calix[6]arenes with Four Uncapped Hydroxy Groups

机译:具有四个未封端羟基的1,3-苯撑双(亚甲基)桥杯[6]芳烃的结构电化

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摘要

1,3-Phenylenebis(methylene)-bridged calix[6]arenes with four uncapped hydroxy groups at the lower rim and various kinds of functionalities on the bridhging unit were synthesized.Their syructures in solution and in the crystalline state were determined by NMR spectrocopy,molecular mechanics calculatiosn,and X-ray crystallographic analyses.They were found to adopt a pinched cone conformation,where the bridging 1,3-phenylenebis(methylene) unit lies below in such a way that it forms the bottom of the cone.There is a strong intramolecular hydrogen bonding network forming a cyclic array in these molecules;this network is considered to play an important role in the stabilization of the pinched cone conformation.The conformations mobility of the bridging unit was also investigated.It was found that yhe steric demand of the central functionality has a great influence on the swinging motion of the bridging unit.
机译:合成了1,3-亚苯基双(亚甲基)桥联的杯芳烃[6]芳烃,其下边缘具有四个未封端的羟基,并且在桥接单元上具有各种官能团。通过NMR光谱法测定它们在溶液中和在结晶状态下的结构。 ,分子力学计算和X射线晶体学分析。发现它们采用了夹锥构型,其中桥接的1,3-亚苯基二(亚甲基)单元位于下方,形成锥的底部。是一个强分子内氢键网络,在这些分子中形成环状阵列;该网络被认为在稳定锥状构象的稳定中起着重要作用。还研究了桥接单元的构象迁移率。中央功能的需求对桥接单元的摆动运动有很大的影响。

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