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Understanding static, dynamic and cooperative porosity in molecular materials

DOI: 10.1039/C6SC00713A DOI Help

Authors: Daniel Holden (University of Liverpool) , Sam Chong (University of Liverpool) , Linjiang Chen (University of Liverpool) , Kim E. Jelfs (Imperial College London) , Tom Hasell (University of Liverpool) , Andrew I. Cooper (University of Liverpool)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Chem. Sci.

State: Published (Approved)
Published: April 2016
Diamond Proposal Number(s): 9282

Open Access Open Access

Abstract: The practical adsorption properties of molecular porous solids can be dominated by dynamic flexibility but these effects are still poorly understood. Here, we combine molecular simulations and experiments to rationalize the adsorption behavior of a flexible porous organic cage.

Journal Keywords: microporous crystals, molecular simulation, in situ diffraction, powder diffraction

Subject Areas: Chemistry

Instruments: I11-High Resolution Powder Diffraction

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