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

Abstract

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.

Authors:
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Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
DOE - BASIC ENERGY SCIENCESFOREIGNOTHER
OSTI Identifier:
1182321
Resource Type:
Journal Article
Journal Name:
Proc. Natl. Acad. Sci. USA
Additional Journal Information:
Journal Volume: 112; Journal Issue: (18) ; 05, 2015
Country of Publication:
United States
Language:
ENGLISH

Citation Formats

Sue, Andrew C.-H., Mannige, Ranjan V., Deng, Hexiang, Cao, Dennis, Wang, Cheng, Gándara, Felipe, Stoddart, J. Fraser, Whitelam, Stephen, Yaghi, Omar M., NWU), and UCB). Heterogeneity of functional groups in a metal-organic framework displays magic number ratios. United States: N. p., 2015. Web. doi:10.1073/pnas.1416417112.
Sue, Andrew C.-H., Mannige, Ranjan V., Deng, Hexiang, Cao, Dennis, Wang, Cheng, Gándara, Felipe, Stoddart, J. Fraser, Whitelam, Stephen, Yaghi, Omar M., NWU), & UCB). Heterogeneity of functional groups in a metal-organic framework displays magic number ratios. United States. doi:10.1073/pnas.1416417112.
Sue, Andrew C.-H., Mannige, Ranjan V., Deng, Hexiang, Cao, Dennis, Wang, Cheng, Gándara, Felipe, Stoddart, J. Fraser, Whitelam, Stephen, Yaghi, Omar M., NWU), and UCB). Wed . "Heterogeneity of functional groups in a metal-organic framework displays magic number ratios". United States. doi:10.1073/pnas.1416417112.
@article{osti_1182321,
title = {Heterogeneity of functional groups in a metal-organic framework displays magic number ratios},
author = {Sue, Andrew C.-H. and Mannige, Ranjan V. and Deng, Hexiang and Cao, Dennis and Wang, Cheng and Gándara, Felipe and Stoddart, J. Fraser and Whitelam, Stephen and Yaghi, Omar M. and NWU) and UCB)},
abstractNote = {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.},
doi = {10.1073/pnas.1416417112},
journal = {Proc. Natl. Acad. Sci. USA},
number = (18) ; 05, 2015,
volume = 112,
place = {United States},
year = {2015},
month = {5}
}