Jump to main content
Jump to site search

Issue 10, 2016
Previous Article Next Article

Flexibility in MOFs: do scalar and group-theoretical counting rules work?

Author affiliations

Abstract

We investigate the ability of counting rules drafted from engineering to predict the flexibility or rigidity of bar-and-joint or body-and-joint assemblies representing metal organic frameworks. We show that while scalar counting rules are not reliable, group-theoretical approaches are able to disentangle mechanisms from states of self-stress and to predict the existence of flexible mechanisms. We give several detailed examples of such calculations, highlighting the fact that behind an abstract exterior they are in fact easy to apply and similar to the method used to obtain molecular vibrations. We also correct a slight misinterpretation of the rigidity of IRMOF-1.

Graphical abstract: Flexibility in MOFs: do scalar and group-theoretical counting rules work?

Back to tab navigation

Supplementary files

Article information


Submitted
13 Sep 2015
Accepted
18 Dec 2015
First published
23 Dec 2015

Dalton Trans., 2016,45, 4360-4369
Article type
Paper
Author version available

Flexibility in MOFs: do scalar and group-theoretical counting rules work?

A. Marmier and K. E. Evans, Dalton Trans., 2016, 45, 4360
DOI: 10.1039/C5DT03586D

Social activity

Search articles by author

Spotlight

Advertisements