Issue 2, 2012

Comparison of the relative stability of zinc and lithium-boron zeolitic imidazolate frameworks

Abstract

We show that dispersive interactions are important components in modelling zeolitic imidazolate frameworks (ZIF). Our comparative study of Zn-based and LiB-based zeolitic imidazolate frameworks reveals that, unexpectedly, both families exhibit a very similar structure-energy relationship, and exhibit a much larger energy spread than previously proposed. This finding suggests that from thermodynamic considerations, the diversity and synthesizability of LiB-based structures should be very similar to Zn-based ZIFs but very porous Zn- and LiB-ZIFs are predicted to be particularly challenging to synthesize. However, fewer unique LiB-based structure types have been synthesized thus far which suggests kinetic barriers may be more significant for LiB frameworks than Zn-based materials.

Graphical abstract: Comparison of the relative stability of zinc and lithium-boron zeolitic imidazolate frameworks

Supplementary files

Article information

Article type
Communication
Submitted
08 ጁላይ 2011
Accepted
14 ኖቬም 2011
First published
25 ኖቬም 2011

CrystEngComm, 2012,14, 374-378

Comparison of the relative stability of zinc and lithium-boron zeolitic imidazolate frameworks

R. Galvelis, B. Slater, A. K. Cheetham and C. Mellot-Draznieks, CrystEngComm, 2012, 14, 374 DOI: 10.1039/C1CE05854A

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements