Abstract
The title three-dimensional metal-organic framework (MOF) compound, {(NH4)2[Zn2(C9H3O6)2]·2C5H9NO} n , features an anionic framework constructed from Zn(2+) cations and benzene-1,3,5-tri-carboxyl-ate (BTC) organic anions. Charge balance is achieved by outer sphere ammonium cations formed by degradation of di-n-butyl-amine in the solvothermal synthesis of the compound. Binuclear {Zn2(COO)2} entities act as the framework's secondary building units. Each Zn(II) atom has a tetrahedral coordination environment with an O4 set of donor atoms. The three-dimensional framework adopts a rutile-type topology and channels are filled in an alternating fashion with ordered and disordered 1-methyl-pyrrolidin-2-one solvent mol-ecules and ammonium cations. The latter are held in the channels via four N-H⋯O hydrogen bonds, including three with the benzene-1,3,5-tri-carboxyl-ate ligands of the anionic framework and one with a 1-methyl-pyrrolidin-2-one solvent mol-ecule.
Highlights
{(NH4)2[Zn2(C9H3O6)2]2C5H9NO}n, features an anionic framework constructed from Zn2+ cations and benzene-1,3,5-tricarboxylate (BTC) organic anions
Charge balance is achieved by outer sphere ammonium cations formed by degradation of di-n-butylamine in the solvothermal synthesis of the compound
The three-dimensional framework adopts a rutile-type topology and channels are filled in an alternating fashion with ordered and disordered 1-methylpyrrolidin-2-one solvent molecules and ammonium cations
Summary
1,3,5-Benzenetricarboxylic acid (H3BTC) has proved its efficacy as a versatile and powerful ligand for the construction of metal–organic frameworks (MOFs). In our recent work (Ordonez et al, 2014), we reported 13 different Zn–BTC coordination networks that were formed as a result of the use of different cations as framework templates. Hydrothermal reaction conditions lead to decomposition of solvents or bases (Burrows et al, 2005), and fixation of the decomposition products in the systems can result in unexpected guests such as ammonium cations (Ordonez et al, 2014). We report the structure of a new three-dimensional Zn–BTC MOF obtained serendipitously by reaction of the H3BTC ligand with zinc nitrate hexahydrate using 1-methylpyrrolidin-2-one (NMP) as a solvent and di-(n-butyl)amine as a base and a framework template. Seven hydrogen-bonding interactions are observed between both of the ammonium cations and the carboxylic framework, N O distances being in the range 2.713 (7)–3.104 (7) Å; two link each of the
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