TY - CHAP

T1 - Porous Molecular Solids

AU - Jiang, Shan

AU - Trewin, Abbie

AU - Cooper, Andrew I.

PY - 2014/8/11

Y1 - 2014/8/11

N2 - 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.

AB - 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.

KW - Amorphous molecular materials

KW - Crystal engineering

KW - Extrinsic porosity

KW - Gas diffusion

KW - Gas selectivity

KW - Gas storage

KW - Intrinsic porosity

KW - Molecular simulations

KW - Porous molecular solids

KW - Porous organic cages

U2 - 10.1002/9783527673223.ch13

DO - 10.1002/9783527673223.ch13

M3 - Chapter

AN - SCOPUS:84926456499

SN - 9783527335442

SP - 329

EP - 347

BT - Discovering the Future of Molecular Sciences

A2 - Pignataro, Bruno

PB - Wiley Blackwell

ER -