Add time:08/06/2019         Source:sciencedirect.com

In this study, microstructure such as intra-molecule interaction BO,OO in polyborate anions (B3O3(OH)4-, B4O5(OH)4-) and inter-molecule (BO(W),M(Rb/Cs)O, M(Rb/Cs)B and OO, M-M i.e.) interaction have been taken into consideration by model calculation with the method of X-ray scattering. The models of B3O3(OH)4-, B3O3(OH)52− and B4O5(OH)42− were optimized by DFT (density functional theory) calculation which have a good agreement with the model calculation. During the process of data analyzing, Raman spectrum, pH, density, stoichiometric volume, atomic mass absorption coefficient have also been carried out. The coordination distance and number of CsO(wI)(∼0.336 nm, ∼7.8), CsO(wII)(∼0.526 nm, ∼8.4), OO(W)(∼0.278 nm, ∼2.15) and CsB(∼0.458 nm, ∼0.9) are concerned to Cs2B4O7 solution. For aqueous Rb2B4O7 samples, the structure parameters of RbO(wI)(∼0.292 nm, ∼7.0), RbO(wII)(∼0.467 nm, ∼8.0), OO(W)(∼0.278 nm, ∼2.22), RbB(∼0.377 nm, ∼0.9) are also listed in the discussion part. And also concluded that cesium ion forms bidentate chelate complexes with tetraborate ion in the solution. Moreover, the influence of the samples, concentration on RDFs (radial distribution function curves) and the difference between cesium tetraborate and rubidium tetraborate also illustrated in paper.

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