title: A novel series of isoreticular metal organic frameworks: realizing metastable structures by liquid phase epitaxy.
abstract: A novel class of metal organic frameworks (MOFs) has been synthesized from Cu-acetate and dicarboxylic acids using liquid phase epitaxy. The SURMOF-2 isoreticular series exhibits P4 symmetry, for the longest linker a channel-size of 3 × 3 nm(2) is obtained, one of the largest values reported for any MOF so far. High quality, ab-initio electronic structure calculations confirm the stability of a regular packing of (Cu(++))(2)- carboxylate paddle-wheel planes with P4 symmetry and reveal, that the SURMOF-2 structures are in fact metastable, with a fairly large activation barrier for the transition to the bulk MOF-2 structures exhibiting a lower, twofold (P2 or C2) symmetry. The theoretical calculations also allow identifying the mechanism for the low-temperature epitaxial growth process and to explain, why a synthesis of this highly interesting, new class of high-symmetry, metastable MOFs is not possible using the conventional solvothermal process.
authors.affiliation: Institute of Functional Interfaces, Karlsruhe Institute of Technology, 76344 Eggenstein-Leopoldshafen, Germany.
authors.forename: Jinxuan
authors.initials: J
authors.lastname: Liu
authors.forename: Binit
authors.initials: B
authors.lastname: Lukose
authors.forename: Osama
authors.initials: O
authors.lastname: Shekhah
authors.forename: Hasan Kemal
authors.initials: HK
authors.lastname: Arslan
authors.forename: Peter
authors.initials: P
authors.lastname: Weidler
authors.forename: Hartmut
authors.initials: H
authors.lastname: Gliemann
authors.forename: Stefan
authors.initials: S
authors.lastname: Bräse
authors.forename: Sylvain
authors.initials: S
authors.lastname: Grosjean
authors.forename: Adelheid
authors.initials: A
authors.lastname: Godt
authors.forename: Xinliang
authors.initials: X
authors.lastname: Feng
authors.forename: Klaus
authors.initials: K
authors.lastname: Müllen
authors.forename: Ioan-Bogdan
authors.initials: IB
authors.lastname: Magdau
authors.forename: Thomas
authors.initials: T
authors.lastname: Heine
authors.forename: Christof
authors.initials: C
authors.lastname: Wöll
mesh_terms: D002264:Carboxylic Acids / Q000737:chemistry*; D019295:Computational Biology; D003300:Copper / Q000737:chemistry*; D018360:Crystallography, X-Ray; D008958:Models, Molecular; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000737:chemistry*
chemical_list: D002264:Carboxylic Acids; D009942:Organometallic Compounds; D003300:Copper