Research

Role of entropic effects in controlling the polymorphism in formate ABX3 metal-organic frameworks


Reference:

Kieslich, G., Kumagai, S., Butler, K. T., Okamura, T., Hendon, C. H., Sun, S., Yamashita, M., Walsh, A. and Cheetham, A. K., 2015. Role of entropic effects in controlling the polymorphism in formate ABX3 metal-organic frameworks. Chemical Communications, 51 (85), pp. 15538-15541.

Related documents:

This repository does not currently have the full-text of this item.
You may be able to access a copy if URLs are provided below. (Contact Author)

Official URL:

http://dx.doi.org/10.1039/c5cc06190c

Related URLs:

Abstract

Polymorphism in formate-based dense metal-organic frameworks with the general formula ABX3 is predicted by quantum chemical calculations and confirmed experimentally. In particular [NH3NH2]Zn(HCOO)3 crystallizes in two different polymorphs, a perovskite-like framework and a chiral structure with hexagonal channels. A detailed thermodynamic analysis reveals that both structures are very close in free energy and that entropy driven effects are responsible for stabilizing the channel structure.

Details

Item Type Articles
CreatorsKieslich, G., Kumagai, S., Butler, K. T., Okamura, T., Hendon, C. H., Sun, S., Yamashita, M., Walsh, A. and Cheetham, A. K.
DOI10.1039/c5cc06190c
Related URLs
URLURL Type
http://www.scopus.com/inward/record.url?scp=84944200620&partnerID=8YFLogxKUNSPECIFIED
DepartmentsFaculty of Science > Chemistry
RefereedYes
StatusPublished
ID Code47949

Export

Actions (login required)

View Item