Guest-Dependent Dynamics in a 3D Covalent Organic Framework Yichong Chen Zhao-Lin Shi Lei Wei Beibei Zhou Jing Tan Hao-Long Zhou Yue-Biao Zhang 10.1021/jacs.8b13691.s004 https://acs.figshare.com/articles/dataset/Guest-Dependent_Dynamics_in_a_3D_Covalent_Organic_Framework/7606919 Guest-dependent dynamics having both crystal contraction and expansion upon inclusion of various guests is uncovered in a 3D covalent organic framework (COF) prepared with a facile and scalable method. A molecular-level understanding of how the framework adjusts the node geometry and molecular configuration to perform significant contraction and large amplitude expansion are resolved through synchrotron in-house powder X-ray diffraction (PXRD) and Rietveld refinements. We found that the COF adopts a contracted phase at ambient conditions upon capturing moisture and is also adaptive upon inclusion of organic solvents, which is highlighted by a large crystal expansion (as large as 50% crystallographic volume increment and a 3-fold channel size enlargement). With this new knowledge of the structural adaptability, the diverse responses and coherent switchability are thereby presented to pave the way to rational design and deliberate control of dynamic COFs. 2019-01-18 18:40:44 inclusion molecular-level understanding channel size enlargement amplitude expansion crystal contraction powder X-ray diffraction 3 D Covalent Organic Framework Guest-dependent dynamics dynamic COFs Guest-Dependent Dynamics crystal expansion PXRD volume increment scalable method framework node geometry ambient conditions 3 D covalent Rietveld refinements