Engineering three-dimensional chains of porous nanoballs from a 1,2,4-triazole-carboxylate supramolecular synthon

[en] Glycine ethyl ester was recruited in an amine exchange process based on a transamination to afford ethyl 4H-1,2,4-triazol-4-yl-acetate (L1). The acid hydrolysis of this molecule leads to quantitative isolation of 4H-1,2,4-triazol-4-yl acetic acid (L2). This versatile synthon crystallizes in a noncentrosymmetric orthorhombic space group (Fdd2) with Z = 16. This crystal structure is the first one for a 1,2,4-triazole ligand constructed from an amino acid derivative. The strong intermolecular hydrogen bonding O-HN (2.570(3)Å) connects molecules into infinite one-dimensional chains running parallel to the b axis, and the structure is further extended by numerous but moderate strength hydrogen bonds (C-HO). Prominent features of L2 are the presence of diverse potential coordinating groups such as carboxylic acid and triazole on the same framework as well as the inherent flexibility of the ligand backbone. Reaction of L1 or L2 with aq. Cu(BF 4) 2 in aq. DMF gives dark blue crystals which crystallize in a noncentrosymmetric, cubic space group (I4̌3m) and which were formulated as [Cu 3(μ 3-O)(L2) 3(H 2O) 3]BF 4H 2O (C1). The self-assembly of C 3-symmetric, μ 3-oxo bridged triangular tricopper secondary building blocks (SBB) formed an unique architecture which encompasses voluminous nanoball voids of 1 nm. The total solvent accessible volume is 4477.5 Å 3 which accounts for 48% of the cell volume. The crystal network stability was studied by thermogravimetric analysis (TGA)'differential thermal analysis (DTA) and scanning electron microscopy (SEM) analyses. Sorption properties and gas storage capacities were measured by BET. C1 shows no preference for N 2(g), but a reversible H 2(g) uptake of 21 cm 3/g was observed. Morphology analysis by SEM on single crystals of C1 shows "ultrawellś of square shape irregularly located on the surface, whose origin is due to desolvation or crystal defects. Mercury porosimetry measurements reveal pore size distribution with a diameter ranging from 350 nm to 2.3 μm © 2010 American Chemical Society.

Disciplines :

Chemistry

Author, co-author :

Naik, A. D.; Université Catholique de Louvain - UCL > Institut de la Matière Condensée et des Nanosciences

Dǐrtu, M. M.; Université Catholique de Louvain - UCL > Institut de la Matière Condensée et des Nanosciences

Léonard, Alexandre ; Facultés Universitaires Notre-Dame de la Paix - Namur - FUNDP > Chimie > Chimie des Matériaux Inorganiques

Tinant, B.; Université Catholique de Louvain - UCL > Institut de la Matière Condensée et des Nanosciences

Marchand-Brynaert, J.; Université Catholique de Louvain - UCL > Institut de la Matière Condensée et des Nanosciences

Su, B.-L.; Facultés Universitaires Notre-Dame de la Paix - Namur - FUNDP > Chimie > Chimie des Matériaux Inorganiques

Garcia, Y.; Université Catholique de Louvain - UCL > Institut de la Matière Condensée et des Nanosciences

Language :

English

Title :

Engineering three-dimensional chains of porous nanoballs from a 1,2,4-triazole-carboxylate supramolecular synthon

Publication date :

2010

Journal title :

Crystal Growth and Design

ISSN :

1528-7483

eISSN :

1528-7505

Publisher :

American Chemical Society, Washington, United States - District of Columbia

Volume :

Issue :

Pages :

1798-1807

Peer reviewed :

Peer Reviewed verified by ORBi

Available on ORBi :

since 07 January 2013

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