Hydrothermal reaction of MgCl2 and ethyl tetrazolate-5-carboxylate at 160 ℃unexpectedly yielded compound {（H3O）[Mg（H2O）6]Cl3} （1）. The result of X-ray diffraction analysis indicates that 1 crystallizes in the m...Hydrothermal reaction of MgCl2 and ethyl tetrazolate-5-carboxylate at 160 ℃unexpectedly yielded compound {（H3O）[Mg（H2O）6]Cl3} （1）. The result of X-ray diffraction analysis indicates that 1 crystallizes in the monoclinic system, space group C2/c with a = 9.2896（3）, b = 9.5570（4）, c = 13.3169（5） A, β = 90.1221（12）°, V= 1182.28（8） A3, Z = 4, Mr = 257.78, Dc = 1.448 g/cm3, μ = 0.824 mm^-1, F（000） = 536, R = 0.0265 and wR - 0.0706. 1 is composed of one hexa-aqua-magnesium（Ⅱ） ion, one hydroxonium ion, and three chlorine anions. These three components weave a perfect three-dimensional （3D） （4,4,6,12）-connected hydrogen bonding network within 1.展开更多
Studying liquid water in a frame of band theory shows that varying a reduction-oxidation (RedOx) potential of aqueous solution can be identified as shifting Fermi level in its band gap. This medium becomes the reducti...Studying liquid water in a frame of band theory shows that varying a reduction-oxidation (RedOx) potential of aqueous solution can be identified as shifting Fermi level in its band gap. This medium becomes the reductive one when Fermi level is shifting to the conduction band due to populating hydroxonium level (H3O+/ H3O) by electrons and transforming water in a hypo-stoichiometric state, H2O1-│X│. Opposite in the hyper-stoichiometric one H2O1+│X│ Fermi level is shifting to the valence band due to populating hydroxide level OH/OH- by holes and the aqueous solution becomes the oxidative one. The energy difference between these electronic levels is estimated of 1.75 eV. It is shown that the standard half-reactions and the typical aqueous electrodes fix their RedOx potential only by the electrons and holes populations ([H3O],[OH]) of these local electronic levels in the band gap of non-stoichiometric water in the corresponding solutions.展开更多
基金Supported by the Youth Foundation of Jiangxi Provincial Office of Education (GJJ09605)the Science Foundation of Jiangxi Provincial Office of Education (GJJ09637)
文摘Hydrothermal reaction of MgCl2 and ethyl tetrazolate-5-carboxylate at 160 ℃unexpectedly yielded compound {（H3O）[Mg（H2O）6]Cl3} （1）. The result of X-ray diffraction analysis indicates that 1 crystallizes in the monoclinic system, space group C2/c with a = 9.2896（3）, b = 9.5570（4）, c = 13.3169（5） A, β = 90.1221（12）°, V= 1182.28（8） A3, Z = 4, Mr = 257.78, Dc = 1.448 g/cm3, μ = 0.824 mm^-1, F（000） = 536, R = 0.0265 and wR - 0.0706. 1 is composed of one hexa-aqua-magnesium（Ⅱ） ion, one hydroxonium ion, and three chlorine anions. These three components weave a perfect three-dimensional （3D） （4,4,6,12）-connected hydrogen bonding network within 1.
文摘Studying liquid water in a frame of band theory shows that varying a reduction-oxidation (RedOx) potential of aqueous solution can be identified as shifting Fermi level in its band gap. This medium becomes the reductive one when Fermi level is shifting to the conduction band due to populating hydroxonium level (H3O+/ H3O) by electrons and transforming water in a hypo-stoichiometric state, H2O1-│X│. Opposite in the hyper-stoichiometric one H2O1+│X│ Fermi level is shifting to the valence band due to populating hydroxide level OH/OH- by holes and the aqueous solution becomes the oxidative one. The energy difference between these electronic levels is estimated of 1.75 eV. It is shown that the standard half-reactions and the typical aqueous electrodes fix their RedOx potential only by the electrons and holes populations ([H3O],[OH]) of these local electronic levels in the band gap of non-stoichiometric water in the corresponding solutions.
