title: Phosphonate monoesters as carboxylate-like linkers for metal organic frameworks.
abstract: Bidentate phosphonate monoesters are analogues of popular dicarboxylate linkers in MOFs, but with an alkoxy tether close to the coordinating site. Herein, we report 3-D MOF materials based upon phosphonate monoester linkers. Cu(1,4-benzenediphosphonate bis(monoalkyl ester), CuBDPR, with an ethyl tether is nonporous; however, the methyl tether generates an isomorphous framework that is porous and captures CO(2) with a high isosteric heat of adsorption of 45 kJ mol(-1). Computational modeling reveals that the CO(2) uptake is extremely sensitive both to the flexing of the structure and to the orientation of the alkyl tether.
authors.affiliation: Department of Chemistry, University of Calgary, Calgary T2N 1N4, Canada.
authors.forename: Simon S
authors.initials: SS
authors.lastname: Iremonger
authors.forename: Junmei
authors.initials: J
authors.lastname: Liang
authors.forename: Ramanathan
authors.initials: R
authors.lastname: Vaidhyanathan
authors.forename: Isaac
authors.initials: I
authors.lastname: Martens
authors.forename: George K H
authors.initials: GK
authors.lastname: Shimizu
authors.forename: Thomas D
authors.initials: TD
authors.lastname: Daff
authors.forename: Mohammad Zein
authors.initials: MZ
authors.lastname: Aghaji
authors.forename: Saeid
authors.initials: S
authors.lastname: Yeganegi
authors.forename: Tom K
authors.initials: TK
authors.lastname: Woo