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Novel Hg(II) and Pd(II) benzotriazole (Hbta) complexes: Synthesis, characterization, X-ray crystal structure of [Pd(PPh3)(μ-bta)Cl]2. DMSO and thermodynamic study of their H2 storage

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Abstract Benzotriazole (Hbta) complexes with Hg(II) and Pd(II) of the types: [Hg(bta)2] (1), [Hg(bta)2(diphos)]; diphos = dppe (2), dppp (3) or dppb (4), [Hg(bta)2(PPh3)2] (5), [Pd(Hbta)2Cl2] (6), [Pd(bta)Cl]2 (7) and [PdCl(bta)(PPh3)]2.DMSO (8)… Click to show full abstract

Abstract Benzotriazole (Hbta) complexes with Hg(II) and Pd(II) of the types: [Hg(bta)2] (1), [Hg(bta)2(diphos)]; diphos = dppe (2), dppp (3) or dppb (4), [Hg(bta)2(PPh3)2] (5), [Pd(Hbta)2Cl2] (6), [Pd(bta)Cl]2 (7) and [PdCl(bta)(PPh3)]2.DMSO (8) were prepared and characterized by elemental analyses, conductivity measurements, infrared, 1H- and 31P-{1H} NMR spectra. [Pd(PPh3)(μ-bta)Cl]2. DMSO (8) was structurally characterized by single-crystal X-ray diffraction. Structural information exposed that benzotriazole acts as a bidentate bridging ligand bonded through the deprotonated nitrogen and the neutral nitrogen atoms. The hydrogen storage ability of complexes (1–4) was studied after detecting their BET surface area. The results show that complex (1) is able to store 3.35 wt% physically at 77 K under 120 bar.

Keywords: pph3; benzotriazole hbta; hbta complexes; pph3 bta; dmso; bta

Journal Title: Journal of Molecular Structure
Year Published: 2020

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