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Competition of Major Forces Dominating the Structures of Porphyrin Assembly
Ma, Juqing1,2; Zhang, Wenlong1; Li, Zhan2; Lin, Qiang2; Xu, Ji2; Han, Yongsheng2
2016-04-01
发表期刊CRYSTAL GROWTH & DESIGN
ISSN1528-7483
卷号16期号:4页码:1942-1947
摘要Here we take the self-assembly of porphyrin molecules as an example to discover the reason for the diversity of assembled structures. The self-assembly is conducted at a range of pH conditions. Irregular, tubular, and rodlike particles are formed at pH 1.5, 6.5 and 12.5, respectively. X-ray diffraction spectra and UV absorption show that these particles have the same crystalline structures, while the packing types of molecules are different. At low pH, the molecules assemble together by end to end attachment with a J-type aggregation, forming irregular particles. This assembly is dominated by the competition of pi-pi interaction and repulsion force. The latter force is induced by the protonation of molecules under acid conditions. With the increase of pH, the repulsion force is attenuated and finally disappears under basic conditions. The pi-pi interaction becomes the major force under basic conditions, leading to a H-type aggregation via face to face attachment and forming rodlike particles. At the middle pH, the competition disturbs the symmetry of molecules assembly, forming tubular particles. Together with previous studies, we expect that the compromise between competing interactions is probably the governing rule for the diversity of assembled structures.
文章类型Article
WOS标题词Science & Technology ; Physical Sciences ; Technology
DOI10.1021/acs.cgd.5b01502
收录类别SCI
语种英语
关键词[WOS]LINEAR CONSTRAINT SOLVER ; PARTICLE MESH EWALD ; MOLECULAR SIMULATION ; LIMITED AGGREGATION ; DIFFUSION ; SUBSTITUENT ; COMPROMISE ; DYNAMICS ; NANORODS ; SPECTRA
WOS研究方向Chemistry ; Crystallography ; Materials Science
WOS类目Chemistry, Multidisciplinary ; Crystallography ; Materials Science, Multidisciplinary
项目资助者Chinese Academy of Sciences ; State Key Laboratory of Multiphase Complex Systems(MPCS-2014-D-05) ; National Natural Science Foundation of China(U1462130 ; 91534123 ; 21406232)
WOS记录号WOS:000373747700021
引用统计
被引频次:5[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.ipe.ac.cn/handle/122111/20986
专题多相复杂系统国家重点实验室
作者单位1.Harbin Univ Sci & Technol, Sch Mat Sci & Engn, Harbin 150080, Peoples R China
2.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China
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Ma, Juqing,Zhang, Wenlong,Li, Zhan,et al. Competition of Major Forces Dominating the Structures of Porphyrin Assembly[J]. CRYSTAL GROWTH & DESIGN,2016,16(4):1942-1947.
APA Ma, Juqing,Zhang, Wenlong,Li, Zhan,Lin, Qiang,Xu, Ji,&Han, Yongsheng.(2016).Competition of Major Forces Dominating the Structures of Porphyrin Assembly.CRYSTAL GROWTH & DESIGN,16(4),1942-1947.
MLA Ma, Juqing,et al."Competition of Major Forces Dominating the Structures of Porphyrin Assembly".CRYSTAL GROWTH & DESIGN 16.4(2016):1942-1947.
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