摘要
通过传统的室温挥发法,1,2-二碘四氟苯(1,2-DITFB)与对二甲胺苯甲醛(DMAB)成功组装成复合晶体,并利用XRD、FT-IR及PXRD手段对复合晶体的结构及成键性质进行表征.XRD结果显示,在复合晶体中1,2-DITFB与DMAB间的化学计量比为1∶2,并且1,2-DITFB与相邻的两个DMAB通过强的C-I…O和C-I…C卤键构建成U型结构基元,该结构基元间通过C—H…F和C—H…π/C氢键构筑成二维网络结构.卤键和氢键间的协同作用在功能材料的组装、分子识别及药物设计方面发挥着至关重要的作用.
The halogen bonding cocrystal of 1,2-diiodotetrafluorobenzene(1,2-DITFB)with 4-dimethylaminobenzaldehyde(DMAB)was successfully assembled by the conventional solution-based method.And the structure and bonding property of cocrystal was characterized by XRD,FT-IR and PXRD methods.XRD analysis reveals a 1∶2 stoichiometric ratio for the cocrystal(1,2-DITFB/DMAB).1,2-DITFB molecule interacts with two adjacent DMAB molecules to construct U-shaped structural motif using C—I…O and C—I…C halogen bonds,then U-shaped motifs are connected each other to construct 2D network using C—H…F and C—H…π/C hydrogen bonds.The cooperation of halogen bond and hydrogen bond could play a vital role in assembling functional cocrystal,molecular recognition and drug design,etc.
作者
杜军国
吕垒
Du Jun-guo;LV Lei(China Resources Double-Crane Limit Pharmaceutical(Jinan)Co.,LTD,Jinan 250000,Shandong,China;Human Resources Department,Shanxi Normal University,Linfen 041000,Shanxi,China)
出处
《山西师范大学学报（自然科学版）》
2020年第2期18-23,共6页
Journal of Shanxi Normal University(Natural Science Edition)
基金
山西师范大学博士启动费(0505/02070468).
关键词
卤键
复合晶体
1
2-二碘四氟苯
二甲胺苯甲醛
halogen bond
cocrystal
1
2-diiodotetrafluorobenzene
4-dimethylaminobenzaldehyde
