The potential energy curves of the ground state X2∑＋g of the fluorine molecule have been accurately reconstructed employing the Ryderg-Klein-Rees （RKR） method extrapolated by a Hulburt and Hirschfeler potential fu...The potential energy curves of the ground state X2∑＋g of the fluorine molecule have been accurately reconstructed employing the Ryderg-Klein-Rees （RKR） method extrapolated by a Hulburt and Hirschfeler potential function for longer internuclear distances. Solving the corresponding radial one-dimensional Schr？dinger equation of nuclear motion yields 22 bound vibrational levels above v=0. The comparison of these theoretical levels with the experimental data yields a mean absolute deviation of about 7.6 cm^-1 over the 23 levels. The highest vibrational level energy obtained using this method is 13308.16 cm？1 and the relative deviation compared with the experimental datum of 13408.49 cm^-1 is only 0.74%. The value from our method is much closer and more accurate than the value obtained by the quantum mechanical ab initio method by Bytautas. The reported agreement of the vibrational levels and dissociation energy with experiment is contingent upon the potential energy curve of the F2 ground state.展开更多
A novel method for fluorination of halopyridazine derivatives with potassium fluoride was performed using a green chemistry procedure, including ionic liquid as an environmentally benign reaction medium and microwave ...A novel method for fluorination of halopyridazine derivatives with potassium fluoride was performed using a green chemistry procedure, including ionic liquid as an environmentally benign reaction medium and microwave irradiation with high yield.展开更多
An acidic mixture of sulfuric and fluosilicic acid(H_(2)SO_(4)+H_(2)SiF_(6))was employed as lixiviant to enhance leaching of lithium from lepidolite.The H_(2)SiF_(6) was obtained as a byproduct of anhydrous hydrofluor...An acidic mixture of sulfuric and fluosilicic acid(H_(2)SO_(4)+H_(2)SiF_(6))was employed as lixiviant to enhance leaching of lithium from lepidolite.The H_(2)SiF_(6) was obtained as a byproduct of anhydrous hydrofluoric acid production,aiming to provide HF molecules.It was found that the HF molecules were the main reaction component and played a key role in strengthening the dissolution of lepidolite.Different factors,including mass ratio of ore/H_(2)SO_(4)/H_(2)SiF_(6),concentrations of H_(2)SO_(4) and H_(2)SiF_(6),leaching temperatures(40−80℃)and time(15−75 min),were investigated.Moreover,an efficient tubular reactor was employed to improve this acid leaching system.Under the optimal conditions(ore/H_(2)SO_(4)/H_(2)SiF_(6) mass ratio of 1:0.8:1.6,80 wt.% H_(2)SO_(4),15 wt.% H_(2)SiF_(6),80℃,15 min),97.9% of Li,96.4% of K,97.6% of Rb,96.7% of Cs and 81.4% of Al(mass fraction)were leached.Additionally,a two-step thermal process was proposed to remove fluorine of leaching slurry.This acid treatment using an acidic mixture of H_(2)SO_(4) and H_(2)SiF_(6) in a continuous tubular reactor shows potential as an alternative process to extract lithium from lepidolite.展开更多
基金This work was supported by the National Natural Science Foundation of China （No.20273066）.
文摘The potential energy curves of the ground state X2∑＋g of the fluorine molecule have been accurately reconstructed employing the Ryderg-Klein-Rees （RKR） method extrapolated by a Hulburt and Hirschfeler potential function for longer internuclear distances. Solving the corresponding radial one-dimensional Schr？dinger equation of nuclear motion yields 22 bound vibrational levels above v=0. The comparison of these theoretical levels with the experimental data yields a mean absolute deviation of about 7.6 cm^-1 over the 23 levels. The highest vibrational level energy obtained using this method is 13308.16 cm？1 and the relative deviation compared with the experimental datum of 13408.49 cm^-1 is only 0.74%. The value from our method is much closer and more accurate than the value obtained by the quantum mechanical ab initio method by Bytautas. The reported agreement of the vibrational levels and dissociation energy with experiment is contingent upon the potential energy curve of the F2 ground state.
文摘A novel method for fluorination of halopyridazine derivatives with potassium fluoride was performed using a green chemistry procedure, including ionic liquid as an environmentally benign reaction medium and microwave irradiation with high yield.
基金the financial supports from Natural Science Foundation of Henan,China(No.212300410278)Henan Provincial Key Research and Development Program,China(No.212102310371)+1 种基金Henan Postdoctoral Foundation,China(No.202002020)China Postdoctoral Science Foundation(No.2020M682353).
文摘An acidic mixture of sulfuric and fluosilicic acid(H_(2)SO_(4)+H_(2)SiF_(6))was employed as lixiviant to enhance leaching of lithium from lepidolite.The H_(2)SiF_(6) was obtained as a byproduct of anhydrous hydrofluoric acid production,aiming to provide HF molecules.It was found that the HF molecules were the main reaction component and played a key role in strengthening the dissolution of lepidolite.Different factors,including mass ratio of ore/H_(2)SO_(4)/H_(2)SiF_(6),concentrations of H_(2)SO_(4) and H_(2)SiF_(6),leaching temperatures(40−80℃)and time(15−75 min),were investigated.Moreover,an efficient tubular reactor was employed to improve this acid leaching system.Under the optimal conditions(ore/H_(2)SO_(4)/H_(2)SiF_(6) mass ratio of 1:0.8:1.6,80 wt.% H_(2)SO_(4),15 wt.% H_(2)SiF_(6),80℃,15 min),97.9% of Li,96.4% of K,97.6% of Rb,96.7% of Cs and 81.4% of Al(mass fraction)were leached.Additionally,a two-step thermal process was proposed to remove fluorine of leaching slurry.This acid treatment using an acidic mixture of H_(2)SO_(4) and H_(2)SiF_(6) in a continuous tubular reactor shows potential as an alternative process to extract lithium from lepidolite.
