Structural Transitions of the Metal-Oxide Nodes within Metal-Organic Frameworks: On the Local Structures of NU-1000 and UiO-66.

In situ pair distribution function (PDF) analyses and density functional theory (DFT) computations are used to probe local structural transitions of MO nodes found in two metal organic frameworks (MOFs), NU-1000 and UiO-66, for M = Zr, Hf. Such transitions are found to occur without change to the gl...

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Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 138; no. 12; pp. 4178 - 4186
Main Authors:	Platero-Prats, Ana E., Mavrandonakis, Andreas, Gallington, Leighanne C., Yangyang Liu, Hupp, Joseph T., Farha, Omar K., Cramer, Christopher J., Chapman, Karena W.
Format:	Article
Published:	American Chemical Society 3/30/2016
Subjects:	Density functionals Metallic oxides Distribution (Probability theory) Properties of matter Thermodynamic state variables
Online Access:	View this record in EBSCOhost