Synthesis, Structure and Spectra Properties of a Novel BOIMPY Compound  

作　　者：李拓 徐兰 尹振明 

机构地区：[1]College of Chemistry, Tianjin Key Laboratory of Structure and Performance for Functional Molecule, Tianjin Normal University [2]Key Laboratory of Inorganic-organic Hybrid Functional Materials Chemistry(Tianjin Normal University), Ministry of Education [3]Zhejiang Duopu Testing Laboratory Co.,LTD

出　　处：《Chinese Journal of Structural Chemistry》2018年第6期899-904,共6页结构化学（英文）

基　　金：supported by the National Natural Science Foundation of China(No.21172174)

摘　　要：A bis-2-iminopyrrole compound（1） and its difluoroboron complex（2） were synthesized and characterized. The crystal of 2 is in the monoclinic system, P2_1/n space group with a = 21.5113（15）, b = 6.3036（3）, c = 21.5064（15） A, V = 2826.3（7） A^3, Z = 4, C_（26.5） H_（25） B_2 ClF_4 N_4 O, M_r = 548.57, D_c = 1.390 g/cm, F（000） = 1132 and μ（MoKα） = 1.787 mm^-1. The final R = 0.0647 and wR = 0.1817 for 10346 observed reflections with I 〉 2σ（I）, and R = 0.0889 and wR = 0.1993 for all data. The molecules of complex 2 self-assemble through C–H×××F hydrogen bonds and form tubular structures which are filled by CH_2 Cl_2 molecules stabilized by C–H×××π interaction. The UV-Vis spectra of complex 2 show great bathochromic shift compared to that of compound 1 due to the difluoroboron complexing. Complex 2 shows fluorescence emission both in solid state and in solution, whereas compound 1 only exhibits fluorescence emission in solid state.A bis-2-iminopyrrole compound（1） and its difluoroboron complex（2） were synthesized and characterized. The crystal of 2 is in the monoclinic system, P2_1/n space group with a = 21.5113（15）, b = 6.3036（3）, c = 21.5064（15） A, V = 2826.3（7） A^3, Z = 4, C_（26.5） H_（25） B_2 ClF_4 N_4 O, M_r = 548.57, D_c = 1.390 g/cm, F（000） = 1132 and μ（MoKα） = 1.787 mm^-1. The final R = 0.0647 and wR = 0.1817 for 10346 observed reflections with I 〉 2σ（I）, and R = 0.0889 and wR = 0.1993 for all data. The molecules of complex 2 self-assemble through C–H×××F hydrogen bonds and form tubular structures which are filled by CH_2 Cl_2 molecules stabilized by C–H×××π interaction. The UV-Vis spectra of complex 2 show great bathochromic shift compared to that of compound 1 due to the difluoroboron complexing. Complex 2 shows fluorescence emission both in solid state and in solution, whereas compound 1 only exhibits fluorescence emission in solid state.

关 键 词：BOIMPY crystal structure UV-Vis and fluorescence spectra 

分 类 号：O641.4[理学—物理化学]