Characterization and photocatalytic activity of TiO2 by sol–gel in acid and basic environments

Journal of Sol-Gel Science and Technology - The sol–gel synthesis of water-based sols of nanocrystalline TiO2 in a large pH range (1.3–10.6) was carried out by acid hydrolysis of...     

X-ray,optical, vibrational,electrical, and DFT study of the polymorphic structure of ethylenediammonium bis iodate α-C2H10N2(IO3)2 and β-C2H10N2(IO3)2

The interaction of ethylenediamine with iodic acid by the slow evaporation method at room temperature gives rise to the crystals of α-C₂H₁₀N₂(IO₃)₂ and β-C₂H₁₀N₂(IO₃)₂ denoted as α-EBI and β-EBI, respectively. The acentric crystal structures of both polymorphs that consist of [C₂H₁₀N₂]²⁺ cations and [IO₃]^? anions connected together by N–H…O hydrogen bonds are discussed and compared. The optical properties of both polymorphs were determined using UV-vis diffuse reflectance spectroscopy (DRS) showing a wide transparency windows. The DFT calculations using the mixed B3PW91/[6–31?+?(d, p), LanL2Dz] basis set of optimized geometries, dipole moment (μ), polarizability (α), first static hyperpolarizability (β), and population analysis were also reported. The experimental and theoretical IR and Raman spectra were compared, and the careful and complete assignment of the vibrational motions of both compounds was undertaken with the aid of potential energy distribution (PED) analysis. DSC and AC conductivity analysis revealed that α-C₂H₁₀N₂(IO₃)₂ and β-C₂H₁₀N₂(IO₃)₂ undergo a first-order phase transition around 360 K. The electrical σ_tot (ω, T) conductivity obeyed to Jonscher’s power law and the temperature dependence of the S(T) parameter showed that the electrical conductivity of both polymorph phases might be treated using the correlated barrier hopping (CBH) model.