Heat capacities of the rare-earth complex with glycine [Ho(Gly)3Cl3·3H2O] were measured with a high-precision automatic adiabatic calorimeter over the temperature range from 78 to 348 K.In the experimental temper...Heat capacities of the rare-earth complex with glycine [Ho(Gly)3Cl3·3H2O] were measured with a high-precision automatic adiabatic calorimeter over the temperature range from 78 to 348 K.In the experimental temperature range,the heat capacities increased in a smooth and continuous manner and no phase transition or thermal anomaly occurred.Therefore,the sample was stable in the above temperature range.The values of experimental heat capacities were fitted to a polynomial equation with least square method and ...展开更多
A new coordi nation comp ound Co(Ⅲ)abstract:Hdmg)abstract: 2 (H 2 O)abstract: 2 Mn(Ⅱ)abstract:Cl 3 was synthesized and its crystal structure was determined.The crystal data ar e as follows:crystal system,orthorhombi...A new coordi nation comp ound Co(Ⅲ)abstract:Hdmg)abstract: 2 (H 2 O)abstract: 2 Mn(Ⅱ)abstract:Cl 3 was synthesized and its crystal structure was determined.The crystal data ar e as follows:crystal system,orthorhombic;space group,C222 1 (#20)abstract:;a=1.18315(3)abstract:nm,b=1.28631(5)abstract:nm,c=1.14355(2)abstract:nm,V=1.74037(9)abstract:nm 3 ,Z=4,D c =1.857g·cm -3 ,F(000)abstract:=980.00,μ (MoK α )abstract:=21.69cm -1 ,R 1 =0.030,wR 2 =0.92.The coordination geometries around Co(Ⅲ)abstract:and Mn(Ⅱ)abstract:atoms are distorted o ct ahedral and distorted trigonal bipyramidal,respectively.The Hdmg chelates Co( Ⅲ)abstract:an d bridges to two Mn(Ⅱ)abstract:atoms to form a polyheteronuclear helical structure alo ng t he c axis.展开更多
Reaction resonance or Feshbach resonance in polyatomic reaction is one of the most fascinating phenomena in chemical reaction dynamics. The HO+CH4→HO+CH3 reaction is one of the pivotal polyato-mic reactions concerned...Reaction resonance or Feshbach resonance in polyatomic reaction is one of the most fascinating phenomena in chemical reaction dynamics. The HO+CH4→HO+CH3 reaction is one of the pivotal polyato-mic reactions concerned with both the experimental and theoretical scientists. Reaction probabilities and other dynamic properties of this system were calculated with quantum scattering theory method, but a simple QH(v)+HO(j)→Q+H2O(m,n) reaction model was used, in which only three degrees of freedom and the rotating of OH were considered while making CH3 as a pseudo atom. In this paper, by an ab initio method, partial potential energy surface(PPES) was constructed and all the 15 internal degrees-freedom were given. Feshbach resonance mechanism of this reaction can be obtained by the dynamic Eyring Lake on the PPES and the lifetime of the reactive resonance-state can be estimated using the gap of the vibrational energy levels of transient collision complex in the critical transition-state region. Above interesting dynamic properties would not be given by simple pseudo atomic reaction model.展开更多
The equilibrium solubility of one CsCl-YCl3-H2O ternary section of CsCl-YCl3-9.5%HCl-H2O quaternary sys-tem at T=298.15 K was investigated by the physico-chemical analysis method and the corresponding phase dia-gram w...The equilibrium solubility of one CsCl-YCl3-H2O ternary section of CsCl-YCl3-9.5%HCl-H2O quaternary sys-tem at T=298.15 K was investigated by the physico-chemical analysis method and the corresponding phase dia-gram was plotted. The crystallization of two new double salts Cs4YCl710H2O (4∶1 type) and Cs3Y2Cl914H2O (3∶2 type) was successful and they were obtained from the complicated system directly. Both were identified and characterized by X-ray, thermal analysis method of TG-DTG, DSC. The fluorescence experiments show that up-conversion phenomenon does not exist in compounds Cs4YCl7·0H2O and Cs3Y2Cl9·4H2O.展开更多
基金supported by the National Natural Science Foundation of China(20373072,20753002)
文摘Heat capacities of the rare-earth complex with glycine [Ho(Gly)3Cl3·3H2O] were measured with a high-precision automatic adiabatic calorimeter over the temperature range from 78 to 348 K.In the experimental temperature range,the heat capacities increased in a smooth and continuous manner and no phase transition or thermal anomaly occurred.Therefore,the sample was stable in the above temperature range.The values of experimental heat capacities were fitted to a polynomial equation with least square method and ...
文摘A new coordi nation comp ound Co(Ⅲ)abstract:Hdmg)abstract: 2 (H 2 O)abstract: 2 Mn(Ⅱ)abstract:Cl 3 was synthesized and its crystal structure was determined.The crystal data ar e as follows:crystal system,orthorhombic;space group,C222 1 (#20)abstract:;a=1.18315(3)abstract:nm,b=1.28631(5)abstract:nm,c=1.14355(2)abstract:nm,V=1.74037(9)abstract:nm 3 ,Z=4,D c =1.857g·cm -3 ,F(000)abstract:=980.00,μ (MoK α )abstract:=21.69cm -1 ,R 1 =0.030,wR 2 =0.92.The coordination geometries around Co(Ⅲ)abstract:and Mn(Ⅱ)abstract:atoms are distorted o ct ahedral and distorted trigonal bipyramidal,respectively.The Hdmg chelates Co( Ⅲ)abstract:an d bridges to two Mn(Ⅱ)abstract:atoms to form a polyheteronuclear helical structure alo ng t he c axis.
文摘Reaction resonance or Feshbach resonance in polyatomic reaction is one of the most fascinating phenomena in chemical reaction dynamics. The HO+CH4→HO+CH3 reaction is one of the pivotal polyato-mic reactions concerned with both the experimental and theoretical scientists. Reaction probabilities and other dynamic properties of this system were calculated with quantum scattering theory method, but a simple QH(v)+HO(j)→Q+H2O(m,n) reaction model was used, in which only three degrees of freedom and the rotating of OH were considered while making CH3 as a pseudo atom. In this paper, by an ab initio method, partial potential energy surface(PPES) was constructed and all the 15 internal degrees-freedom were given. Feshbach resonance mechanism of this reaction can be obtained by the dynamic Eyring Lake on the PPES and the lifetime of the reactive resonance-state can be estimated using the gap of the vibrational energy levels of transient collision complex in the critical transition-state region. Above interesting dynamic properties would not be given by simple pseudo atomic reaction model.
基金Project supported by the National Natural Science Foundation of China (No. 29371023).
文摘The equilibrium solubility of one CsCl-YCl3-H2O ternary section of CsCl-YCl3-9.5%HCl-H2O quaternary sys-tem at T=298.15 K was investigated by the physico-chemical analysis method and the corresponding phase dia-gram was plotted. The crystallization of two new double salts Cs4YCl710H2O (4∶1 type) and Cs3Y2Cl914H2O (3∶2 type) was successful and they were obtained from the complicated system directly. Both were identified and characterized by X-ray, thermal analysis method of TG-DTG, DSC. The fluorescence experiments show that up-conversion phenomenon does not exist in compounds Cs4YCl7·0H2O and Cs3Y2Cl9·4H2O.
