The Structural and Thermal Characterization of New Cu-Arginate Complex; Experimental and Simulated Hydrogen Adsorption Properties

Abstract

DTA-DrTG, UV-Vis spectroscopy and elemental analysis methods. In addition, experimental and theoretical hydrogen storage capabilities were investigated. The unit cell of complex structure included that one mole CuII as centered cation and one mole of free NaI cation and one mole of NaSO 4 as coordinated to arginine ligand and two moles of arginate ligands and one mole of aqua ligand as coordinated to NaSO 4-. The CuII cation had square-pyramidal coordination sphere and the Na1 metal cation had trigonal coordination scheme. The other sodium metal cation (Na2) was implemented in the released position as counter ion of NaSO 4-. It was found that the arginine complex, synthesized in this work have 0.533 m 2 /g BET surface area and 6.92E-3 wt. % hydrogen storage capacity at 77 K and 1 bar while simulated value was 3.27E-3 wt. % for the same conditions. .