Heterogeneity of functional groups in a metal-organic framework displays magic number ratios

Journal Article · Wed May 20 00:00:00 EDT 2015 · Proc. Natl. Acad. Sci. USA

DOI:https://doi.org/10.1073/pnas.1416417112· OSTI ID:1182321

Sue, Andrew C.-H.; Mannige, Ranjan V.; Deng, Hexiang; Cao, Dennis; Wang, Cheng; Gándara, Felipe; Stoddart, J. Fraser; Whitelam, Stephen; Yaghi, Omar M. ^[1]

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1. LBNL

Multiple organic functionalities can now be apportioned into nanoscale domains within a metal-coordinated framework, posing the following question: how do we control the resulting combination of “heterogeneity and order”? Here, we report the creation of a metal–organic framework, MOF-2000, whose two component types are incorporated in a 2:1 ratio, even when the ratio of component types in the starting solution is varied by an order of magnitude. Statistical mechanical modeling suggests that this robust 2:1 ratio has a nonequilibrium origin, resulting from kinetic trapping of component types during framework growth. Our simulations show how other “magic number” ratios of components can be obtained by modulating the topology of a framework and the noncovalent interactions between component types, a finding that may aid the rational design of functional multicomponent materials.

• Research Organization: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
• Sponsoring Organization: DOE - BASIC ENERGY SCIENCESFOREIGNOTHER
• OSTI ID: 1182321
• Journal Information: Proc. Natl. Acad. Sci. USA, Vol. 112, Issue (18) ; 05, 2015
• Country of Publication: United States
• Language: ENGLISH