13. Porous Molecular Solids

  1. Bruno Pignataro
  1. Shan Jiang,
  2. Abbie Trewin and
  3. Andrew I. Cooper

Published Online: 5 MAY 2014

DOI: 10.1002/9783527673223.ch13

Discovering the Future of Molecular Sciences

Discovering the Future of Molecular Sciences

How to Cite

Jiang, S., Trewin, A. and Cooper, A. I. (2014) Porous Molecular Solids, in Discovering the Future of Molecular Sciences (ed B. Pignataro), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany. doi: 10.1002/9783527673223.ch13

Editor Information

  1. Università di Palermo, Dipartimento di Fisica e Chimica, Viale delle Scienze ed. 17, 90128 Palermo, Italy

Author Information

  1. The University of Liverpool, Department of Chemistry, Crown Street, Liverpool, L69 7ZD, UK

Publication History

  1. Published Online: 5 MAY 2014
  2. Published Print: 18 JUN 2014

ISBN Information

Print ISBN: 9783527335442

Online ISBN: 9783527673223



  • porous molecular solids;
  • porous organic cages;
  • intrinsic porosity;
  • extrinsic porosity;
  • crystal engineering;
  • amorphous molecular materials;
  • gas storage;
  • gas selectivity;
  • molecular simulations;
  • gas diffusion


Organic molecules have been discovered, which can be utilized as synthetically prefabricated molecular pore templates for the construction of self-assembled porous molecular materials. They have shown permanent porosity to gas molecules or selective guest binding in either crystalline or amorphous solid state. The porosity of these materials is a result of both of the intrinsic molecular voids and extrinsic voids from the inefficient packing. Moreover, the packing motifs can be directed by the functionality of molecules, giving control over the pore connectivity. Pore molecular solids are of interest for a wide range of applications in gas storage, separation, and molecular recognition. Herein, we describe a series of porous organic molecules in terms of both synthetic and computational approaches. Molecular simulations offer a unique perspective by allowing the examination of the structures on the molecular level, and also give additional insight into understanding the nature of these materials and assist in the design and tailoring for specific applications.