中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Competition of Major Forces Dominating the Structures of Porphyrin Assembly

文献类型:期刊论文

作者Ma, Juqing1,2; Zhang, Wenlong1; Li, Zhan2; Lin, Qiang2; Xu, Ji2; Han, Yongsheng2
刊名CRYSTAL GROWTH & DESIGN
出版日期2016-04-01
卷号16期号:4页码:1942-1947
ISSN号1528-7483
英文摘要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.
WOS标题词Science & Technology ; Physical Sciences ; Technology
类目[WOS]Chemistry, Multidisciplinary ; Crystallography ; Materials Science, Multidisciplinary
研究领域[WOS]Chemistry ; Crystallography ; Materials Science
关键词[WOS]LINEAR CONSTRAINT SOLVER ; PARTICLE MESH EWALD ; MOLECULAR SIMULATION ; LIMITED AGGREGATION ; DIFFUSION ; SUBSTITUENT ; COMPROMISE ; DYNAMICS ; NANORODS ; SPECTRA
收录类别SCI
语种英语
WOS记录号WOS:000373747700021
源URL[http://ir.ipe.ac.cn/handle/122111/20986]  
专题过程工程研究所_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
推荐引用方式
GB/T 7714
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.

入库方式: OAI收割

来源:过程工程研究所

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