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Exceptional Negative Thermal Expansion in Isoreticular Metal–Organic Frameworks
Author(s) -
Dubbeldam David,
Walton Krista S.,
Ellis Donald E.,
Snurr Randall Q.
Publication year - 2007
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200700218
Subject(s) - cyan , metal organic framework , adsorption , thermal stability , stability (learning theory) , content (measure theory) , thermal expansion , computer science , thermodynamics , chemical engineering , materials science , chemistry , physics , organic chemistry , engineering , mathematics , mathematical analysis , machine learning , optics
Shrink when heated : A new model for flexible frameworks is used to simulate the structures and adsorption properties of isoreticular metal–organic frameworks (IRMOFs), such as IRMOF‐1 (see picture; Zn silver, C cyan, H white, O red). The structural simulations suggest that the IRMOFs have negative thermalexpansion coefficients over their full temperature ranges of stability.