Crystal Structures of the Room-Temperature Phase of 4,4″-Difluoro-<i>p</i>-terphenyl and 4,4″′-Difluoro-<i>p</i>-quaterphenyl
作者:Hideki Saitoh、Kazuya Saito、Yasuhisa Yamamura、Haruo Matsuyama、Koichi Kikuchi、Masahiko Iyoda、Isao Ikemoto
DOI:10.1246/bcsj.66.2847
日期:1993.10
4,4″-Difluoro-p-terphenyl and 4,4″′-difluoro-p-quaterphenyl were synthesized and their crystal structures were determined at room temperature. These are isostructural to p-terphenyl and p-quaterphenyl, respectively. Some “disorder” in the inner benzene ring orientation was detected and resolved by the split-atom method. A rigid-body librational analysis of each benzene ring around the long molecular
合成了4,4"-二氟-对三联苯和4,4"'-二氟-对-四联苯,并在室温下测定了它们的晶体结构。它们分别与对三联苯和对四联苯同构。内部苯环取向的一些“紊乱”通过分裂原子方法被检测和解决。对围绕长分子轴的每个苯环进行了刚体振动分析。4,4"-二氟-对三联苯的平面构象势垒高度的粗略估计约为1 kJ mol-1。将结果与对三联苯和对四联苯的性质进行比较,并讨论了与低温相变相关的氟取代对分子性质的影响。