The mode selectivity of the H+CH_(3)D→H_(2)+CH_(2)D reaction was studied using a recently developed ten-dimensional time-dependent wave packet method.The reaction dynamics are studied for the reactant CH_(3)D initial...The mode selectivity of the H+CH_(3)D→H_(2)+CH_(2)D reaction was studied using a recently developed ten-dimensional time-dependent wave packet method.The reaction dynamics are studied for the reactant CH_(3)D initially from the ground state,the CH_(3) symmetry and asymmetry stretching excitation,the CD stretching excitation and the fundamental and the first overtone of the CH_(3) bending mode.The calculated reaction probabilities show that exciting either of the CH_(3) stretching modes enhances the reactivity in the collision energy range below 1.0 eV,while the CD stretching excitation does not obviously prompt the reaction.Fundamental CH_(3) bending excitation has nearly no effect on promoting reactivity.However,a significant enhancement is observed for the first overtone excitation of the CH_(3) bending mode,resulting from the Fermi resonance between the fundamental state of the CH_(3) symmetry stretching mode and the first overtone state of the CH_(3) bending mode.展开更多
Acetylene purification from methane is challenging in the field of porous organic polymers(POPs).Herein,we have provided one-pot Ullmann coupling reaction to synthesize a series of POPs with rich N-sites,named FJU-POP...Acetylene purification from methane is challenging in the field of porous organic polymers(POPs).Herein,we have provided one-pot Ullmann coupling reaction to synthesize a series of POPs with rich N-sites,named FJU-POP-n,wherein the low-cost and non-toxic Cu(acac)2 and environmental-friendly glycerol are employed as catalyst and solvent,respectively.展开更多
The studies of chemical compositions of modern hot spring water and gases,isotopic compositions of H_2O,He,Ar,CH_4,CO_2 in northwest Hunan show that the chemical characteristics of spring water are markedly different,...The studies of chemical compositions of modern hot spring water and gases,isotopic compositions of H_2O,He,Ar,CH_4,CO_2 in northwest Hunan show that the chemical characteristics of spring water are markedly different,which indicates the difference of background value of country rocks and the dif- ference of the effect of water-rock reaction.The geothermal systems in the studied regions are middle-high temperature geothermal systems.The distributions of springs are controlled by the press and press-shear faults that do not dissect deeply to the mantle.The hot spring water is of meteoric water.The origin of ma- terials in the hot springs is correlated with the sedimentary rocks.展开更多
基金supported by the National Natural Science Foundation of China(No.21773297,No.21973108,and No.21921004 to Minghui Yang,No.21973109 to Hongwei Song)。
文摘The mode selectivity of the H+CH_(3)D→H_(2)+CH_(2)D reaction was studied using a recently developed ten-dimensional time-dependent wave packet method.The reaction dynamics are studied for the reactant CH_(3)D initially from the ground state,the CH_(3) symmetry and asymmetry stretching excitation,the CD stretching excitation and the fundamental and the first overtone of the CH_(3) bending mode.The calculated reaction probabilities show that exciting either of the CH_(3) stretching modes enhances the reactivity in the collision energy range below 1.0 eV,while the CD stretching excitation does not obviously prompt the reaction.Fundamental CH_(3) bending excitation has nearly no effect on promoting reactivity.However,a significant enhancement is observed for the first overtone excitation of the CH_(3) bending mode,resulting from the Fermi resonance between the fundamental state of the CH_(3) symmetry stretching mode and the first overtone state of the CH_(3) bending mode.
基金This work was financially supported by the National Natural Science Foundation of China(grant nos.21975044,21971038 and 219722810)Fujian Provincial Department of Science and Technology(2018J07001,2019L3004,2019H6012 and 2021H0062).
文摘Acetylene purification from methane is challenging in the field of porous organic polymers(POPs).Herein,we have provided one-pot Ullmann coupling reaction to synthesize a series of POPs with rich N-sites,named FJU-POP-n,wherein the low-cost and non-toxic Cu(acac)2 and environmental-friendly glycerol are employed as catalyst and solvent,respectively.
基金State Key Laboratory of Gas Geochemistry,Lanzhou Institute of Geology,Chinese Academy of Sciences.
文摘The studies of chemical compositions of modern hot spring water and gases,isotopic compositions of H_2O,He,Ar,CH_4,CO_2 in northwest Hunan show that the chemical characteristics of spring water are markedly different,which indicates the difference of background value of country rocks and the dif- ference of the effect of water-rock reaction.The geothermal systems in the studied regions are middle-high temperature geothermal systems.The distributions of springs are controlled by the press and press-shear faults that do not dissect deeply to the mantle.The hot spring water is of meteoric water.The origin of ma- terials in the hot springs is correlated with the sedimentary rocks.
