Tunable Mechanical and Optoelectronic Properties of Organic Cocrystals by Unexpected Stacking Transformation from H- to J- and X-Aggregation

doi:10.1021/acsnano.0c05367

	Tunable Mechanical and Optoelectronic Properties of Organic Cocrystals by Unexpected Stacking Transformation from H- to J- and X-Aggregation
	Ji, Wei 2; Xue, Bin 3; Bera, Santu 2; Guerin, Sarah 4; Liu, Yanqing 1; Yuan, Hui 5; Li, Qi 6; Yuan, Chengqian 6; Shimon, Linda J. W.7; Ma, Qing 8
刊名	ACS NANO
	2020-08-25
卷号	14 期号:8 页码:10704-10715
关键词	organic crystals coassembly molecular stacking mechanical property optoelectronic materials supramolecular chemistry
ISSN号	1936-0851
DOI	10.1021/acsnano.0c05367
英文摘要	Molecular stacking modes, generally classified as H-, J-, and X-aggregation, play a key role in determining the optoelectronic properties of organic crystals. However, the control of stacking transformation of a specific molecule is an unmet challenge, and a priori prediction of the performance in different stacking modes is extraordinarily difficult to achieve. In particular, the existence of hybrid stacking modes and their combined effect on physicochemical properties of molecular crystals are not fully understood. Herein, unexpected stacking transformation from H- to J- and X-aggregation is observed in the crystal structure of a small heterocyclic molecule, 4,4'bipyridine (4,4'-Bpy), upon coassembly with N-acetyl-L-alanine (ACA), a nonaromatic amino acid derivative. This structural transformation into hybrid stacking mode improves physicochemical properties of the cocrystals, including a large red-shifted emission, enhanced supramolecular chirality, improved thermal stability, and higher mechanical properties. While a single crystal of 4,4'-Bpy shows good optical waveguiding and piezoelectric properties due to the uniform elongated needles and low symmetry of crystal packing, the significantly lower band gap and resistance of the cocrystal indicate improved conductivity. This study not only demonstrates cocrystallization-induced packing transformation between H-, J-, and X-aggregations in the solid state, leading to tunable mechanical and optoelectronic properties, but also will inspire future molecular design of organic functional materials by the coassembly strategy.
资助项目	European Research Council under the European Union Horizon 2020 research and innovation program[694426] ; Science Foundation Ireland (SFI)[15/CDA/3491] ; Science Foundation Ireland (SFI)[12/RC/2275] ; National Natural Science Foundation of China[11804148] ; Natural Science Foundation of Jiangsu Province[BK20180320] ; Fundamental Research Funds for the Central Universities[020414380118]
WOS关键词	SUPRAMOLECULAR CHIRALITY ; INDUCED EMISSION ; SOLID-STATE ; CRYSTAL ; DESIGN ; FLUORESCENCE ; MOLECULES ; BEHAVIOR ; DYES
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science
语种	英语
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000566341000131
资助机构	European Research Council under the European Union Horizon 2020 research and innovation program ; Science Foundation Ireland (SFI) ; National Natural Science Foundation of China ; Natural Science Foundation of Jiangsu Province ; Fundamental Research Funds for the Central Universities
内容类型	期刊论文
源URL	[http://ir.ipe.ac.cn/handle/122111/41952]
专题	中国科学院过程工程研究所
通讯作者	Gazit, Ehud
作者单位	1.Lanzhou Univ, Key Lab Magnetism & Magnet Mat, Minist Educ, Lanzhou 730000, Peoples R China 2.Tel Aviv Univ, George S Wise Fac Life Sci, Sch Mol Cell Biol & Biotechnol, IL-6997801 Tel Aviv, Israel 3.Nanjing Univ, Dept Phys, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China 4.Univ Limerick, Dept Phys, Bernal Inst, Limerick V94 T9PX, Ireland 5.Xidian Univ, Sch Adv Mat & Nanotechnol, Xian 710126, Peoples R China 6.Chinese Acad Sci, Inst Proc Engn, State Key Lab Biochem Engn, Beijing 100190, Peoples R China 7.Weizmann Inst Sci, Dept Chem Res Support, IL-76100 Rehovot, Israel 8.China Acad Engn Phys, Inst Chem Mat, Mianyang 621900, Sichuan, Peoples R China 9.Chinese Acad Sci, Beijing Natl Lab Mol Sci, CAS Key Lab Colloid Interface & Chem Thermodynam, Inst Chem, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Ji, Wei,Xue, Bin,Bera, Santu,et al. Tunable Mechanical and Optoelectronic Properties of Organic Cocrystals by Unexpected Stacking Transformation from H- to J- and X-Aggregation[J]. ACS NANO,2020,14(8):10704-10715.
APA	Ji, Wei.,Xue, Bin.,Bera, Santu.,Guerin, Sarah.,Liu, Yanqing.,...&Gazit, Ehud.(2020).Tunable Mechanical and Optoelectronic Properties of Organic Cocrystals by Unexpected Stacking Transformation from H- to J- and X-Aggregation.ACS NANO,14(8),10704-10715.
MLA	Ji, Wei,et al."Tunable Mechanical and Optoelectronic Properties of Organic Cocrystals by Unexpected Stacking Transformation from H- to J- and X-Aggregation".ACS NANO 14.8(2020):10704-10715.