[1]谢浩然,罗一弘,戴劲草.8-［4-吡啶］-1,3,5,7-四甲基-2,6-二溴氟硼二吡咯甲川的晶体生长、结构表征和光谱性质[J].华侨大学学报(自然科学版),2020,41(5):618-624.[doi:10.11830/ISSN.1000-5013.202007005]
　XIE Haoran,LUO Yihong,DAI Jingcao.Crystal Growth, Structural Characterization and Spectral Properties of 8-［4-pyridyl］-1,3,5,7-Tetramethyl-2,6-Dibromo-Difluoroboron Dipyrromethene[J].Journal of Huaqiao University(Natural Science),2020,41(5):618-624.[doi:10.11830/ISSN.1000-5013.202007005]
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8-［4-吡啶］-1,3,5,7-四甲基-2,6-二溴氟硼二吡咯甲川的晶体生长、结构表征和光谱性质()
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《华侨大学学报（自然科学版）》[ISSN:1000-5013/CN:35-1079/N]

卷:
第41卷
期数:
2020年第5期
页码:
618-624
栏目:
出版日期:
2020-09-20

文章信息/Info

Title:
Crystal Growth, Structural Characterization and Spectral Properties of 8-［4-pyridyl］-1,3,5,7-Tetramethyl-2,6-Dibromo-Difluoroboron Dipyrromethene
文章编号:
1000-5013(2020)05-0618-07
作者:
谢浩然;  罗一弘;  戴劲草
华侨大学 材料物理化学研究所, 福建 厦门 361021
Author(s):
XIE Haoran;  LUO Yihong;  DAI Jingcao
Institute of Materials Physical Chemistry, Huaqiao University, Xiamen 361021, China
关键词:
二溴氟硼二吡咯甲川;  荧光团;  晶体结构;  荧光性质
Keywords:
dibromo-difluoroboron dipyrromethene;  fluorophores;  crystal structure;  fluorescence
分类号:
O641.4
DOI:
10.11830/ISSN.1000-5013.202007005
文献标志码:
A
摘要:
利用溶液晶体生长法,将8-［4-吡啶］-1,3,5,7-四甲基-2,6-二溴氟硼二吡咯甲川(BDP-Br2)溶于乙醇-水混合溶剂中,自然挥发,可获得BDP-Br2单晶.X-射线晶体学分析表明,BDP-Br2晶体属单斜晶系P21/c空间群,分子式为C18H16BF2N3Br2,Mr=482.97.其晶体学参数如下:a=1.500 7(1)nm,b=1.129 5(1)nm,c=2.225 9(2)nm,β=90.949(8)°,Z=8,ρc=1.701 g·cm-3,R=0.073,Rw=0.164,拟合优度(GOF)=1.010.在BDP-Br2晶体结构中,每个BDP-Br2染料分子通过分子间C-H…F氢键和C-H…π超分子作用,组成Z形分子链反向交替堆积的三维分子阵列结构.固相和溶液相的BDP-Br2染料分子可分别于550和561 nm处观察到光致发光现象.
Abstract:
Single crystals of 8-［4-pyridyl］-1,3,5,7-tetramethyl-2,6-dibromo-difluoroboron dipyrromethene(BDP-Br2)can be obtained from natural volatilization of its solution in ethanol-water mixed media by solution crystal growth technique. X-ray single crystal analysis reveals that this dye molecule(formula=C18H16BF2N3Br2, Mr=482.97)crystallizes in monoclinic, space group P21/c with a=1.500 7(1)nm, b=1.129 5(1)nm, c=2.225 9(2)nm, β=90.949(8)°, Z=8, ρc=1.701 g·cm-3, R=0.073, Rw=0.164, and good-of-fit(GOF)=1.010. In this crystal structure, each dye molecule is interlinked to generate a 3D antiparallel stacks of zigzag-chain-like supramolecular array by the intermocular C-H…F hydrogen bond and the C-H…π supramolecular interaction between the neighboring dyes. A photoluminescence at 550 nm for solid state and an emission at 561 nm for solution phase are observed in this BDP-Br2 dye molecule, respectively.

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备注/Memo

备注/Memo:
收稿日期: 2020-07-04
通信作者: 戴劲草(1962-),男,教授,博士,博士生导师,主要从事无机材料化学的研究.E-mail:jcdai@hqu.edu.cn.
基金项目: 华侨大学研究生科研创新基金资助项目(17013081054)
更新日期/Last Update: 2020-09-20