Single-crystal x-ray diffraction structures of covalent organic frameworks

被引：777

作者：

Ma, Tianqiong ^{[1
,2
]}

Kapustin, Eugene A. ^{[3
,4
,5
,6
]}

Yin, Shawn X. ^{[7
]}

Liang, Lin ^{[1
]}

Zhou, Zhengyang ^{[2
]}

Niu, Jing ^{[1
]}

Li, Li-Hua ^{[1
]}

Wang, Yingying ^{[1
]}

Su, Jie ^{[2
]}

Li, Jian ^{[2
]}

Wang, Xiaoge ^{[2
]}

Wang, Wei David ^{[1
]}

Wang, Wei ^{[1
,8
]}

Sun, Junliang ^{[2
]}

Yaghi, Omar M. ^{[3
,4
,5
,6
,9
]}

机构：

[1] Lanzhou Univ, State Key Lab Appl Organ Chem, Coll Chem & Chem Engn, Lanzhou 730000, Gansu, Peoples R China

[2] Peking Univ, Coll Chem & Mol Engn, Beijing Natl Lab Mol Sci, Beijing 100871, Peoples R China

[3] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA

[4] Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA

[5] Kavli Energy NanoSci Inst Berkeley, Berkeley, CA 94720 USA

[6] Berkeley Global Sci Inst, Berkeley, CA 94720 USA

[7] Bristol Myers Squibb Co, Drug Prod Sci & Technol, One Squibb Dr, New Brunswick, NJ 08903 USA

[8] Collaborat Innovat Ctr Chem Sci & Engn, Tianjin 300071, Peoples R China

[9] King Abdulaziz City Sci & Technol, Riyadh 11442, Saudi Arabia

来源：

SCIENCE | 2018年 / 361卷 / 6397期

基金：

中国国家自然科学基金;

关键词：

INORGANIC 3D NETWORKS; CHEMISTRY; DATABASE;

D O I：

10.1126/science.aat7679

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

The crystallization problem is an outstanding challenge in the chemistry of porous covalent organic frameworks (COFs). Their structural characterization has been limited to modeling and solutions based on powder x-ray or electron diffraction data. Single crystals of COFs amenable to x-ray diffraction characterization have not been reported. Here, we developed a general procedure to grow large single crystals of three-dimensional imine-based COFs (COF-300, hydrated form of COF-300, COF-303, LZU-79, and LZU-111). The high quality of the crystals allowed collection of single-crystal x-ray diffraction data of up to 0.83-angstrom resolution, leading to unambiguous solution and precise anisotropic refinement. Characteristics such as degree of interpenetration, arrangement of water guests, the reversed imine connectivity, linker disorder, and uncommon topology were deciphered with atomic precision-aspects impossible to determine without single crystals.

引用

页码：48 / 52

页数：5

共 25 条

[1] Interpenetrating metal-organic and inorganic 3D networks: a computer-aided systematic investigation. Part II. Analysis of the Inorganic Crystal Structure Database (ICSD) [J].