Element Transfer Reaction(ETR)theory is a new fundamental theory guiding the design of synthetic routes.It analyses problems from a brand-new perspective of element circulation,decomposing the factors affecting synthe...Element Transfer Reaction(ETR)theory is a new fundamental theory guiding the design of synthetic routes.It analyses problems from a brand-new perspective of element circulation,decomposing the factors affecting synthetic efficiency into three elements:element sources,driving force,and output.Different from the retrosynthetic analysis method and the atom economy theory,the ETR theory places more emphasis on examining the problem as a whole and comprehensively considering various factors involved in industrial applications.This perspective intends to elaborate on the scientific connotation of the ETR theory and explore its characteristics by discussing the practical application cases.展开更多
In optimizing fast charge capability,mitigating side reaction rate,and unveiling particle cracking tolerance for Li-ion batteries(LIBs),the galvanostatic charge–discharge(GCD)at different charge/discharge rates,the s...In optimizing fast charge capability,mitigating side reaction rate,and unveiling particle cracking tolerance for Li-ion batteries(LIBs),the galvanostatic charge–discharge(GCD)at different charge/discharge rates,the static electrochemical impedance spectroscopy(SEIS)under open circuit voltage(OCV)conditions,and the dynamic EIS(DEIS)under dynamic conditions are widely used to investigate charge transfer reactions in LIBs.In spite of great progresses achieved,it is still an open question how to decouple charge transfer reactions under dynamic conditions,especially under conditions of different charge/discharge rates and state of charges(SOCs).To address the above challenges,this work develops a unified framework to digitize,visualize,and finally decouple charge transfer reactions in LIBs under dynamic conditions.In detail:(i)a set of matrix-based numerical solutions to GCD,SEIS,and DEIS are deduced for LIBs;(ii)an open-source DEIS-Toolbox@LIB to digitize/visualize charge transfer reactions is developed;(iii)EIS under dynamic and OCV conditions are discriminated;and(iv)a dynamic decoupling of charge transfer reactions is achieved with respect to core parameters under dynamic conditions for LIBs.The developed framework serves to digitize/visualize/decouple charge transfer reactions under dynamic conditions,and then to unveil limiting factors of fast charge/discharge and triggering mechanisms of side reactions for batteries.展开更多
Within the framework of the dinuclear system(DNS)model by implementing the cluster transfer into the dissipation process,we systematically investigated the energy spectra and the angular distribution of the pre-equili...Within the framework of the dinuclear system(DNS)model by implementing the cluster transfer into the dissipation process,we systematically investigated the energy spectra and the angular distribution of the pre-equilibrium clusters(n,p,d,t,^(3)He,α,6,^(7)Li,^(8,9)Be)in the massive transfer reactions of^(12C)+^(209)Bi,^(14)N+^(159)Tb,^(14)N+^(169)Tm,^(14)N+^(181)Ta,^(14)N+^(197)Au,^(14)N+^(209)Bi,58,64,^(72)Ni+^(198)Pt near the Coulomb barrier energies.It was found that the neutron emission is the most probable in comparison with the charged particles,and theαyields are comparable to the hydrogen isotopes in magnitude.Prequilibrium clusters are mainly produced from projectile-like and target-like fragments during the evolution of the dinuclear system.The kinetic energy spectra manifest a Boltzmann distribution,and the Coulomb potential influences the structure.The pre-equilibrium clusters follow the angular distribution of the multinucleon transfer fragments.展开更多
The dinuclear system approach,coupled with the statistical decay model GEMINI++,was used to investigate multinucleon transfer reactions.Experimental production cross-sections in the reaction^(129)Xe+^(248)Cm were repr...The dinuclear system approach,coupled with the statistical decay model GEMINI++,was used to investigate multinucleon transfer reactions.Experimental production cross-sections in the reaction^(129)Xe+^(248)Cm were reproduced to assess the reliability of these theoretical models.The production of neutron-deficient transcalifornium nuclei with Z=99-106 was examined in multinucleon transfer reactions,including^(124)Xe+^(248)Cm,^(124)Xe+^(249)Cf,and^(129)Xe+^(249)Cf.Both the driving potential and the neutron-to-proton equilibration ratio were found to dominate the nucleon transfer process.The reaction^(124)Xe+^(249)Cf is proposed as a promising projectile-target combination for producing neutron-deficient isotopes with Z=99-106,with the optimal incident energy identified as E_(c.m.)=533.64 MeV.Production cross-sections of 25 unknown neutron-deficient trancalifornium isotopes with cross-sections greater than 1 pb were predicted.展开更多
With the development of radioactive beam facilities,studies concerning the shell evolution of unstable nuclei have recently gained prominence.Intruder components,particularly s-wave intrusion,in the low-lying states o...With the development of radioactive beam facilities,studies concerning the shell evolution of unstable nuclei have recently gained prominence.Intruder components,particularly s-wave intrusion,in the low-lying states of light neutron-rich nuclei near N=8 are of importance in the study of shell evolution.The use of single-nucleon transfer reactions in inverse kinematics has been a sensitive tool that can be used to quantitatively investigate the single-particle orbital component of selectively populated states.The spin-parity,spectroscopic factor(or single-particle strength),and effective singleparticle energy can all be extracted from such reactions.These observables are often useful to explain the nature of shell evolution,and to constrain,check,and test the parameters used in nuclear structure models.In this article,the experimental studies of the intruder components in lowlying states of neutron-rich nuclei of He,Li,Be,B,and C isotopes using various single-nucleon transfer reactions are reviewed.The focus is laid on the precise determination of the intruder s-wave strength in low-lying states.展开更多
We systematically calculated the multinucleon transfer reactions of ^(208)Os,^(208)Pt,^(208)Hg,^(208)Pb,^(208)Po,^(208)Rn,^(208)Ra,and ^(132,136) Xe when bombarded on ^(232) Th and ^(248) Cm at Coulomb barrier energie...We systematically calculated the multinucleon transfer reactions of ^(208)Os,^(208)Pt,^(208)Hg,^(208)Pb,^(208)Po,^(208)Rn,^(208)Ra,and ^(132,136) Xe when bombarded on ^(232) Th and ^(248) Cm at Coulomb barrier energies within the dinuclear system model.These results are in good agreement with the available experimental data.The influence of Coulomb and shell effects on actinide production in these reactions has been rigorously studied.We calculated and analyzed the potential energy surface (PES) and total kinetic energy (TKE) mass distributions for the reactions involving ^(208)Hg,^(208)Pb,and ^(208) Po with ^(248) Cm and ^(232)Th.The PES and TKE spectra shed light on the fragment formation mechanisms in multinucleon transfer reactions,with clear indications of isospin and shell effects.The production cross sections for multinucleon transfer products show a strong dependence on isobar projectiles with a mass number A=208.Isobar projectiles with high N/Z ratios are advantageous for generating neutron-rich target-like fragments.Conversely,products induced by isobar projectiles with larger charge numbers tend to shift toward proton-rich regions.The intertwining of the Coulomb potential and shell effect is evident in the production cross sections of actinide isotopes.Drawing from reactions induced by radioactive projectiles,we anticipate the discovery of several new actinide isotopes near the nuclear drip lines,extending our reach into the superheavy nuclei domain.展开更多
Pseudo-first order reaction rate constants of 5,10,15-tris（pentafluorophenyl）corrole Mn（V）-oxo （F_（15）CMn（V）-oxo）,5,15-bis（pentafluorophenyl）-10-（phenyl）corrole Mn（V）-oxo（F_（10）CMn（V）-oxo）,5,15- ...Pseudo-first order reaction rate constants of 5,10,15-tris（pentafluorophenyl）corrole Mn（V）-oxo （F_（15）CMn（V）-oxo）,5,15-bis（pentafluorophenyl）-10-（phenyl）corrole Mn（V）-oxo（F_（10）CMn（V）-oxo）,5,15- bis（phenyl）-10-（pentafluorophenyl）corrole Mn（V）-oxo（F_5CMn（V）-oxo） and 5,10,15-tris（phenyl）corrole Mn（V）-oxo（F_0CMn（V）-oxo） with a series of alkene substrates in different solvents were determined by UV-vis spectroscopy.The results indicated that the oxygen atom transfer pathway between Mn（V）-oxo corrole and alkene is solvent-dependent.展开更多
The radiative capture reaction plays an important role in nuclear astrophysics. We have indirectly measured the astrophysical S（E） factors for some proton capture reactions and reaction rates for several neutron cap...The radiative capture reaction plays an important role in nuclear astrophysics. We have indirectly measured the astrophysical S（E） factors for some proton capture reactions and reaction rates for several neutron capture reactions with one nucleon transfer reactions at HI-13 tandem accelerator in recent years. Some of them are compiled into IAEA EXFOR database and JINA REACLIB project, and used in the network calculations of Big Bang nucleosynthesis and type-I X-ray bursts.展开更多
Introduction Electron transfer oxidation of DNA by triplet artificial photonuclease reveals a bright prospect of its application in biology and medicine. Both molecular orbital calculation and laser experiments have ...Introduction Electron transfer oxidation of DNA by triplet artificial photonuclease reveals a bright prospect of its application in biology and medicine. Both molecular orbital calculation and laser experiments have indicated that the homo guanine sequence should be the final localization site of photoexcited hole via long range migration within DNA. However, the direct observation of the produced ion pairs of biomolecules especially the stabilized radical cation DNA or its components is hampered by the overwhelming transient absorption of protonated radical anion of photosensitizers, such as 2-methyl-1,4-naphthaguinonel （MQ）.展开更多
The electron transfer reaction between triplet anthraquinone-2-sulfonate with poly-guanylic acid (5) (poly[G]) in acetonitrile-H2O has been investigated by 248 nm laser flash photolysis. The transient absorption spect...The electron transfer reaction between triplet anthraquinone-2-sulfonate with poly-guanylic acid (5) (poly[G]) in acetonitrile-H2O has been investigated by 248 nm laser flash photolysis. The transient absorption spectra of radical cation of poly[G] and radical anion of anthraqunione-2-sulfonate (AQS) arising from electron transfer reaction has been observed simultaneously for the first time. The formation processes of radical cation of poly[G] and radical anion of anthraquinone-2-sulfonate as well as the decay processes of triplet anthraquinone-2-sulfonate have also been observed, the apparent rate constants for the formation and decay of transient species have been determined. The free energy changes in the process of the electron transfer was also calculated.展开更多
The 13C（7Li, 6He）laN reaction is measured at E（TLi） = 34 MeV with the Q3D mag- netic spectrometer of HI-13 tandem accelerator. Angular distributions at forward angles for proton transfer to the ground and the firs...The 13C（7Li, 6He）laN reaction is measured at E（TLi） = 34 MeV with the Q3D mag- netic spectrometer of HI-13 tandem accelerator. Angular distributions at forward angles for proton transfer to the ground and the first excited states in 14N are obtained. In addition, angular distri- bution for 7Li ＋ 13C elastic scattering is also measured. The optical potential parameters for the entrance and exit channels of the transfer reactions are derived by fitting the 7Li ＋ 13C and 6Li ＋ 14N elastic scattering experimental data, and their angular distributions are well reproduced by the distorted wave Born approximation calculations. A phase shift of about 2° between the calculations and the experiment data has been found in the earlier （TLi, 6He） study, whereas no such phase shift is observed in the present work.展开更多
In the development of Li-ion batteries(LIBs)with high energy/power density,long cycle-life,fast charging,and high safety,an insight into charge transfer reactions is required.Although electrochemical impedance spectro...In the development of Li-ion batteries(LIBs)with high energy/power density,long cycle-life,fast charging,and high safety,an insight into charge transfer reactions is required.Although electrochemical impedance spectroscopy(EIS)is regarded as a powerful diagnosis tool,it is not a direct but an indirect measurement.With respect to this,some critical questions need to be answered:(i)why EIS can reflect the kinetics of charge transfer reactions;(ii)what the inherent logical relationship between impedance models under different physical scenes is;(iii)how charge transfer reactions compete with each other at multiple scales.This work aims at answering these questions via developing a theory framework so as to mitigate the blindness and uncertainty in unveiling charge transfer reactions in LIBs.To systematically answer the above questions,this article is organized into a three-in-one(review,tutorial,and research)type and the following contributions are made:(i)a brief review is given for impedance model development of the LIBs over the past half century;(ii)an open source code toolbox is developed based on the unified impedance model;(iii)the competive mechanisms of charge transfer reactions are unveiled based on the developed EIS-Toolbox@LIB.This work not only clarifies theoretical fundamentals,but also provides an easy-to-use open source code for EIS-Toolbox@LIB to optimize fast charge/discharge,mitigate cycle aging,and improve energy/power density.展开更多
As models of 5, 10-methenyl-tetrahydrofolate coenaymes imidazolinium salts 6a. b were synthesized and their carbon transfer reactions with several types of nucleophiles were studied.
Photoinduced charge transfer reaction of benzophenone(BP) with, mine was carried out in the vesicles of dicetyldimethylammonium bromide (DCDAB) over wide ranges of amine concentration (0. 01～4. 0M). Linear plots of ...Photoinduced charge transfer reaction of benzophenone(BP) with, mine was carried out in the vesicles of dicetyldimethylammonium bromide (DCDAB) over wide ranges of amine concentration (0. 01～4. 0M). Linear plots of φ^(-1) vs. [TEA]^(-1) at low concentration of amine (<0.02M) and Φ^(-1) vs. [TEA]^(-2) at high concentration were obtained. Kinetic data demonstrate that the electron transfer is promoted significantly by DCDAB vesicles and proton transfer becomes more efficient at high Rmlne concentrations, leading to a decrease of Kd/Kr and increase of Kh/Ke. The kinetic expressions of photoreaction of BP bound to DCDAB bilayer are developed.展开更多
The microscopic moleeular theory for electron transfer in a model solvent ishahr developed. The nonlinear response of the solvent molecules is be computedquanitatively in a new way. Adopting computer simulation daa an...The microscopic moleeular theory for electron transfer in a model solvent ishahr developed. The nonlinear response of the solvent molecules is be computedquanitatively in a new way. Adopting computer simulation daa and choosingappropriate reaction coordinae, a reasonable free energy dinram is constructed and thercorganhaion energy for the product state is calculated.展开更多
The effects of substituent type and position on the proton transfer reaction of 3-hydroxytropolone(3-OHTRN) have been investigated theoretically by using density functional theory at the level of B3LYP/ 6-31+G** metho...The effects of substituent type and position on the proton transfer reaction of 3-hydroxytropolone(3-OHTRN) have been investigated theoretically by using density functional theory at the level of B3LYP/ 6-31+G** method. The influence of solvent on the proton transfer reactions of substituted 3-OHTRN has been examined using the self-consistent isodensity polarized continuum model(SCI-PCM) in water. As a result, while the proton transfer reaction is kinetically the easiest by substitution on position 3 of-NH2 group in the gas phase, it is kinetically the easiest by substitution on position 5 of the same group in water. In addition, these reactions are either kinetically or thermodynamically easier in the gas phase than that in water, except the reaction of structure with-NH2 group at position 6.展开更多
After the electron transfers from the metal electrode to the Fe3+(H2O)(6) ion, the free energy of activation of this electron transfer reaction is calculated, then using the transition probability which is calculated ...After the electron transfers from the metal electrode to the Fe3+(H2O)(6) ion, the free energy of activation of this electron transfer reaction is calculated, then using the transition probability which is calculated by the perturbed degeneration theory and the Fermi golden rule,, the rate constant is gotten. Compared with the experimental results, it is satisfactory.展开更多
A single potential step chronoabsorptometric method for the determination of ki- netic parameters of simple quasi-reversible reactions is described.It is verified by determining the kinetic parameters for the electror...A single potential step chronoabsorptometric method for the determination of ki- netic parameters of simple quasi-reversible reactions is described.It is verified by determining the kinetic parameters for the electroreduction of ferricyanide.A long-optical-path electro- chemical cell with a plug-in electrode is used.The thickness of solution layer is 0.55 mm展开更多
Angular distributions for the 7^Li（6^Li, 7^Li）6^Li elastic-transfer reaction have been measured with the Q3D magnetic spectrograph at the HI-13 tandem accelerator of Beijing, China. The neutron spectroscopic factors...Angular distributions for the 7^Li（6^Li, 7^Li）6^Li elastic-transfer reaction have been measured with the Q3D magnetic spectrograph at the HI-13 tandem accelerator of Beijing, China. The neutron spectroscopic factors of 7^Li are derived by comparing the calculated differential cross sections, which are obtained through the distorted-wave Born approximation （DWBA） calculation, to the experimental data. And these spectroscopic factors are then used to deduce the direct capture cross sections in 6^Li（n, γ）TLi at energies of astrophysical relevance.展开更多
基金Industry Foresight and Key Core Technology(No.YZ2023019)Cooperation Project of Yangzhou City with Yangzhou University(No.YZ2023209)+3 种基金Sichuan Tianfu Talent Programme(No.A.2200732)Chengdu Rongpiao Talent Programme(No.1043)SeleValley Scholars Basic Research Project(No.2301)Priority Academic Program Development of Jiangsu Higher Education Institutions(PAPD)for financial support。
文摘Element Transfer Reaction(ETR)theory is a new fundamental theory guiding the design of synthetic routes.It analyses problems from a brand-new perspective of element circulation,decomposing the factors affecting synthetic efficiency into three elements:element sources,driving force,and output.Different from the retrosynthetic analysis method and the atom economy theory,the ETR theory places more emphasis on examining the problem as a whole and comprehensively considering various factors involved in industrial applications.This perspective intends to elaborate on the scientific connotation of the ETR theory and explore its characteristics by discussing the practical application cases.
基金supported by the National Natural Science Foundation of China(22479092,22078190)。
文摘In optimizing fast charge capability,mitigating side reaction rate,and unveiling particle cracking tolerance for Li-ion batteries(LIBs),the galvanostatic charge–discharge(GCD)at different charge/discharge rates,the static electrochemical impedance spectroscopy(SEIS)under open circuit voltage(OCV)conditions,and the dynamic EIS(DEIS)under dynamic conditions are widely used to investigate charge transfer reactions in LIBs.In spite of great progresses achieved,it is still an open question how to decouple charge transfer reactions under dynamic conditions,especially under conditions of different charge/discharge rates and state of charges(SOCs).To address the above challenges,this work develops a unified framework to digitize,visualize,and finally decouple charge transfer reactions in LIBs under dynamic conditions.In detail:(i)a set of matrix-based numerical solutions to GCD,SEIS,and DEIS are deduced for LIBs;(ii)an open-source DEIS-Toolbox@LIB to digitize/visualize charge transfer reactions is developed;(iii)EIS under dynamic and OCV conditions are discriminated;and(iv)a dynamic decoupling of charge transfer reactions is achieved with respect to core parameters under dynamic conditions for LIBs.The developed framework serves to digitize/visualize/decouple charge transfer reactions under dynamic conditions,and then to unveil limiting factors of fast charge/discharge and triggering mechanisms of side reactions for batteries.
基金supported by the National Natural Science Foundation of China(Nos.12175072 and 12311540139).
文摘Within the framework of the dinuclear system(DNS)model by implementing the cluster transfer into the dissipation process,we systematically investigated the energy spectra and the angular distribution of the pre-equilibrium clusters(n,p,d,t,^(3)He,α,6,^(7)Li,^(8,9)Be)in the massive transfer reactions of^(12C)+^(209)Bi,^(14)N+^(159)Tb,^(14)N+^(169)Tm,^(14)N+^(181)Ta,^(14)N+^(197)Au,^(14)N+^(209)Bi,58,64,^(72)Ni+^(198)Pt near the Coulomb barrier energies.It was found that the neutron emission is the most probable in comparison with the charged particles,and theαyields are comparable to the hydrogen isotopes in magnitude.Prequilibrium clusters are mainly produced from projectile-like and target-like fragments during the evolution of the dinuclear system.The kinetic energy spectra manifest a Boltzmann distribution,and the Coulomb potential influences the structure.The pre-equilibrium clusters follow the angular distribution of the multinucleon transfer fragments.
基金supported partly by the National Key R&D Program of China(No.2023YFA1606401)the National Natural Science Foundation of China(Nos.12135004,11635003,11961141004,12105019,and 12047513)+1 种基金the Open Project of Guangxi Key Laboratory of Nuclear Physics and Nuclear Technology(No.NLK2023-05)the Central Government Guidance Funds for Local Scientific and Technological Development,China(No.Guike ZY22096024)。
文摘The dinuclear system approach,coupled with the statistical decay model GEMINI++,was used to investigate multinucleon transfer reactions.Experimental production cross-sections in the reaction^(129)Xe+^(248)Cm were reproduced to assess the reliability of these theoretical models.The production of neutron-deficient transcalifornium nuclei with Z=99-106 was examined in multinucleon transfer reactions,including^(124)Xe+^(248)Cm,^(124)Xe+^(249)Cf,and^(129)Xe+^(249)Cf.Both the driving potential and the neutron-to-proton equilibration ratio were found to dominate the nucleon transfer process.The reaction^(124)Xe+^(249)Cf is proposed as a promising projectile-target combination for producing neutron-deficient isotopes with Z=99-106,with the optimal incident energy identified as E_(c.m.)=533.64 MeV.Production cross-sections of 25 unknown neutron-deficient trancalifornium isotopes with cross-sections greater than 1 pb were predicted.
基金supported by the National Key R&D program of China(No.2018YFA0404403)National Natural Science Foundation of China(Nos.11775004,U1867214,and 11535004)
文摘With the development of radioactive beam facilities,studies concerning the shell evolution of unstable nuclei have recently gained prominence.Intruder components,particularly s-wave intrusion,in the low-lying states of light neutron-rich nuclei near N=8 are of importance in the study of shell evolution.The use of single-nucleon transfer reactions in inverse kinematics has been a sensitive tool that can be used to quantitatively investigate the single-particle orbital component of selectively populated states.The spin-parity,spectroscopic factor(or single-particle strength),and effective singleparticle energy can all be extracted from such reactions.These observables are often useful to explain the nature of shell evolution,and to constrain,check,and test the parameters used in nuclear structure models.In this article,the experimental studies of the intruder components in lowlying states of neutron-rich nuclei of He,Li,Be,B,and C isotopes using various single-nucleon transfer reactions are reviewed.The focus is laid on the precise determination of the intruder s-wave strength in low-lying states.
基金supported by National Natural Science Foundation of China (Nos. 12105241, 12175072)Natural Science Foundation of Jiangsu Province (No. BK20210788)+3 种基金Jiangsu Provincial Double-Innovation Doctoral Program (No. JSSCBS20211013)University Science Research Project of Jiangsu Province (No. 21KJB140026)Lv Yang Jin Feng (No. YZLYJFJH2021YXBS130)Key Laboratory of High-Precision Nuclear Spectroscopy,Institute of Modern Physics,Chinese Academy of Sciences (No. IMPKFKT2021001)。
文摘We systematically calculated the multinucleon transfer reactions of ^(208)Os,^(208)Pt,^(208)Hg,^(208)Pb,^(208)Po,^(208)Rn,^(208)Ra,and ^(132,136) Xe when bombarded on ^(232) Th and ^(248) Cm at Coulomb barrier energies within the dinuclear system model.These results are in good agreement with the available experimental data.The influence of Coulomb and shell effects on actinide production in these reactions has been rigorously studied.We calculated and analyzed the potential energy surface (PES) and total kinetic energy (TKE) mass distributions for the reactions involving ^(208)Hg,^(208)Pb,and ^(208) Po with ^(248) Cm and ^(232)Th.The PES and TKE spectra shed light on the fragment formation mechanisms in multinucleon transfer reactions,with clear indications of isospin and shell effects.The production cross sections for multinucleon transfer products show a strong dependence on isobar projectiles with a mass number A=208.Isobar projectiles with high N/Z ratios are advantageous for generating neutron-rich target-like fragments.Conversely,products induced by isobar projectiles with larger charge numbers tend to shift toward proton-rich regions.The intertwining of the Coulomb potential and shell effect is evident in the production cross sections of actinide isotopes.Drawing from reactions induced by radioactive projectiles,we anticipate the discovery of several new actinide isotopes near the nuclear drip lines,extending our reach into the superheavy nuclei domain.
基金The financial support from the National Natural Science Foundation of China(Nos.20971046 and 21171057)
文摘Pseudo-first order reaction rate constants of 5,10,15-tris（pentafluorophenyl）corrole Mn（V）-oxo （F_（15）CMn（V）-oxo）,5,15-bis（pentafluorophenyl）-10-（phenyl）corrole Mn（V）-oxo（F_（10）CMn（V）-oxo）,5,15- bis（phenyl）-10-（pentafluorophenyl）corrole Mn（V）-oxo（F_5CMn（V）-oxo） and 5,10,15-tris（phenyl）corrole Mn（V）-oxo（F_0CMn（V）-oxo） with a series of alkene substrates in different solvents were determined by UV-vis spectroscopy.The results indicated that the oxygen atom transfer pathway between Mn（V）-oxo corrole and alkene is solvent-dependent.
基金supported by the National Basic Research Programme of China (No. 2007CB815003)National Natural Science Foundation of China(Nos. 10675173, 10705053, 10735100 and 11021504)
文摘The radiative capture reaction plays an important role in nuclear astrophysics. We have indirectly measured the astrophysical S（E） factors for some proton capture reactions and reaction rates for several neutron capture reactions with one nucleon transfer reactions at HI-13 tandem accelerator in recent years. Some of them are compiled into IAEA EXFOR database and JINA REACLIB project, and used in the network calculations of Big Bang nucleosynthesis and type-I X-ray bursts.
文摘Introduction Electron transfer oxidation of DNA by triplet artificial photonuclease reveals a bright prospect of its application in biology and medicine. Both molecular orbital calculation and laser experiments have indicated that the homo guanine sequence should be the final localization site of photoexcited hole via long range migration within DNA. However, the direct observation of the produced ion pairs of biomolecules especially the stabilized radical cation DNA or its components is hampered by the overwhelming transient absorption of protonated radical anion of photosensitizers, such as 2-methyl-1,4-naphthaguinonel （MQ）.
文摘The electron transfer reaction between triplet anthraquinone-2-sulfonate with poly-guanylic acid (5) (poly[G]) in acetonitrile-H2O has been investigated by 248 nm laser flash photolysis. The transient absorption spectra of radical cation of poly[G] and radical anion of anthraqunione-2-sulfonate (AQS) arising from electron transfer reaction has been observed simultaneously for the first time. The formation processes of radical cation of poly[G] and radical anion of anthraquinone-2-sulfonate as well as the decay processes of triplet anthraquinone-2-sulfonate have also been observed, the apparent rate constants for the formation and decay of transient species have been determined. The free energy changes in the process of the electron transfer was also calculated.
基金supported by National Natural Science Foundation of China (Nos. 11021504, 10975193, 10735100, 10720101076)the National Basic Research Program of China (No. 2007CB815003)
文摘The 13C（7Li, 6He）laN reaction is measured at E（TLi） = 34 MeV with the Q3D mag- netic spectrometer of HI-13 tandem accelerator. Angular distributions at forward angles for proton transfer to the ground and the first excited states in 14N are obtained. In addition, angular distri- bution for 7Li ＋ 13C elastic scattering is also measured. The optical potential parameters for the entrance and exit channels of the transfer reactions are derived by fitting the 7Li ＋ 13C and 6Li ＋ 14N elastic scattering experimental data, and their angular distributions are well reproduced by the distorted wave Born approximation calculations. A phase shift of about 2° between the calculations and the experiment data has been found in the earlier （TLi, 6He） study, whereas no such phase shift is observed in the present work.
基金the financial support from the National Science Foundation of China(22078190)the National Key R&D Plan of China(2020YFB1505802)。
文摘In the development of Li-ion batteries(LIBs)with high energy/power density,long cycle-life,fast charging,and high safety,an insight into charge transfer reactions is required.Although electrochemical impedance spectroscopy(EIS)is regarded as a powerful diagnosis tool,it is not a direct but an indirect measurement.With respect to this,some critical questions need to be answered:(i)why EIS can reflect the kinetics of charge transfer reactions;(ii)what the inherent logical relationship between impedance models under different physical scenes is;(iii)how charge transfer reactions compete with each other at multiple scales.This work aims at answering these questions via developing a theory framework so as to mitigate the blindness and uncertainty in unveiling charge transfer reactions in LIBs.To systematically answer the above questions,this article is organized into a three-in-one(review,tutorial,and research)type and the following contributions are made:(i)a brief review is given for impedance model development of the LIBs over the past half century;(ii)an open source code toolbox is developed based on the unified impedance model;(iii)the competive mechanisms of charge transfer reactions are unveiled based on the developed EIS-Toolbox@LIB.This work not only clarifies theoretical fundamentals,but also provides an easy-to-use open source code for EIS-Toolbox@LIB to optimize fast charge/discharge,mitigate cycle aging,and improve energy/power density.
基金This work was supported by the National Natural Science Foundation of China and Shanxi Natural Science Foundation
文摘As models of 5, 10-methenyl-tetrahydrofolate coenaymes imidazolinium salts 6a. b were synthesized and their carbon transfer reactions with several types of nucleophiles were studied.
文摘Photoinduced charge transfer reaction of benzophenone(BP) with, mine was carried out in the vesicles of dicetyldimethylammonium bromide (DCDAB) over wide ranges of amine concentration (0. 01～4. 0M). Linear plots of φ^(-1) vs. [TEA]^(-1) at low concentration of amine (<0.02M) and Φ^(-1) vs. [TEA]^(-2) at high concentration were obtained. Kinetic data demonstrate that the electron transfer is promoted significantly by DCDAB vesicles and proton transfer becomes more efficient at high Rmlne concentrations, leading to a decrease of Kd/Kr and increase of Kh/Ke. The kinetic expressions of photoreaction of BP bound to DCDAB bilayer are developed.
文摘The microscopic moleeular theory for electron transfer in a model solvent ishahr developed. The nonlinear response of the solvent molecules is be computedquanitatively in a new way. Adopting computer simulation daa and choosingappropriate reaction coordinae, a reasonable free energy dinram is constructed and thercorganhaion energy for the product state is calculated.
文摘The effects of substituent type and position on the proton transfer reaction of 3-hydroxytropolone(3-OHTRN) have been investigated theoretically by using density functional theory at the level of B3LYP/ 6-31+G** method. The influence of solvent on the proton transfer reactions of substituted 3-OHTRN has been examined using the self-consistent isodensity polarized continuum model(SCI-PCM) in water. As a result, while the proton transfer reaction is kinetically the easiest by substitution on position 3 of-NH2 group in the gas phase, it is kinetically the easiest by substitution on position 5 of the same group in water. In addition, these reactions are either kinetically or thermodynamically easier in the gas phase than that in water, except the reaction of structure with-NH2 group at position 6.
文摘After the electron transfers from the metal electrode to the Fe3+(H2O)(6) ion, the free energy of activation of this electron transfer reaction is calculated, then using the transition probability which is calculated by the perturbed degeneration theory and the Fermi golden rule,, the rate constant is gotten. Compared with the experimental results, it is satisfactory.
文摘A single potential step chronoabsorptometric method for the determination of ki- netic parameters of simple quasi-reversible reactions is described.It is verified by determining the kinetic parameters for the electroreduction of ferricyanide.A long-optical-path electro- chemical cell with a plug-in electrode is used.The thickness of solution layer is 0.55 mm
基金supported by National Basic Research Program of China (No.2007CB815003)National Natural Science Foundation of China (Nos.10675173,10720101076,10735100,10975193)
文摘Angular distributions for the 7^Li（6^Li, 7^Li）6^Li elastic-transfer reaction have been measured with the Q3D magnetic spectrograph at the HI-13 tandem accelerator of Beijing, China. The neutron spectroscopic factors of 7^Li are derived by comparing the calculated differential cross sections, which are obtained through the distorted-wave Born approximation （DWBA） calculation, to the experimental data. And these spectroscopic factors are then used to deduce the direct capture cross sections in 6^Li（n, γ）TLi at energies of astrophysical relevance.
