Comprehensive Summary 2,3-Allenyl amines have shown wide applicability in biomedical and synthetic applications.Due to their enormous potential for applications,researchers have been dedicated to the development of me...Comprehensive Summary 2,3-Allenyl amines have shown wide applicability in biomedical and synthetic applications.Due to their enormous potential for applications,researchers have been dedicated to the development of methods for synthesizing 2,3-allenyl amines.Herein,a palladium-catalyzed three-component reaction of 2-alkynyl-1,4-diol dicarbonates,organoboronic acids,and nitrogen nucleophiles forming 2,3-allenyl amines with excellent regio-and chemo-selectivity has been developed.Substrate compatibility and synthetic applications have been demonstrated.Control experiments supported a mechanism involving 1,2,3-triene-Pd species and methylene-π-allyl palladium species.展开更多
The dicarbon(C_(2))molecule is an important molecular species observed in many carbon-containing gaseous environments.The spectroscopic and dissociative studies of C_(2)have attracted great attention for a long time f...The dicarbon(C_(2))molecule is an important molecular species observed in many carbon-containing gaseous environments.The spectroscopic and dissociative studies of C_(2)have attracted great attention for a long time for understanding its electronic characters as well as the evolution and cycling of carbon in the universe.In this study,the lifetimes of C_(2)populated at the three high-lying electronic states of(2-4)^(3)Δ_(g) in the vacuum ultraviolet(VUV)region have been experimentally measured using a time-of-flight mass spectrometer and the VUV-pump-UV-probe photoionization scheme.The measurements showed that all the rovibronic levels in the 2(g)^(3)Δ_(g) state exhibit shorter lifetimes than the dynamical limit of the experimental method,consistent with the theoretically predicted radiative lifetimes.Dependence of the lifetime on the vibrational level was observed in the 3^(3)Δ_(g) state,and a marginal rotational dependence was noticed in the vʹ=1 vibrational level.For the 4^(3)Δ_(g) state,the rotationally resolved lifetimes in the vʹ=1 vibrational level were found to be slightly longer than those in the vʹ=0 and 2 vibrational levels.Such a complicated dependence of the lifetime on the rovibronic level makes further experimental and theoretical investigations highly desired for understanding the dynamics in the high-lying excited states of C_(2).展开更多
Dilithium ethylene dicarbonate(Li_(2)EDC) and dilithium butylene dicarbonate(Li_(2)BDC) are the common organic compositions of the solid electrolyte interphase(SEI) layers in rechargeable lithium-ion batteries.The Li^...Dilithium ethylene dicarbonate(Li_(2)EDC) and dilithium butylene dicarbonate(Li_(2)BDC) are the common organic compositions of the solid electrolyte interphase(SEI) layers in rechargeable lithium-ion batteries.The Li^(+) diffusion in the amorphous and ordered phases of Li_(2) EDC and Li_(2) BDC under various strains has been investigated by using molecular dynamics simulations.It is found that different strains lead to diverse changes in Li^(+) diffusivity.The tensile strain makes the Li+diffusion coefficients increase in amorphous and ordered Li_(2)EDC or Li_(2) BDC,and the compressive strain makes the Li+diffusion coefficients decrease in them.The average Li+coordination number calculation,ion conductivity calculation and the calculation of the residence autocorrelation function in amorphous and ordered Li_(2)EDC or Li_(2)BDC are performed to further analyze the strain effects on Li^(+) transport in them.The factors influencing Li^(+) diffusion in amorphous and ordered Li_(2)EDC or Li_(2) BDC under the strain are discussed.展开更多
A simple and practical route is described for the synthesis of 2-efhoxy-（4H）-3,1 -benzoxazine-4-ones using the coupling reaction of anthranilic acid derivatives with diethyl dicarbonate following with fast cyclizati...A simple and practical route is described for the synthesis of 2-efhoxy-（4H）-3,1 -benzoxazine-4-ones using the coupling reaction of anthranilic acid derivatives with diethyl dicarbonate following with fast cyclization of the carbamate adduct with a dehydrocyclization agent such as cyanuric chloride and N,N′-dicyclohexylcarbodiimide in PEG at room temperature.High yields of the products obtained under mild reaction conditions with simple work-up of the reaction mixture.展开更多
A regiodivergent synthesis of azetidines,5,6-dihydro-1,3-oxazines and 2,3-dihydro-1,4-oxazines has been achieved through palladium-catalyzed tandem allylic substitution reaction.This protocol provides a variety of het...A regiodivergent synthesis of azetidines,5,6-dihydro-1,3-oxazines and 2,3-dihydro-1,4-oxazines has been achieved through palladium-catalyzed tandem allylic substitution reaction.This protocol provides a variety of heterocycles in satisfactory yields with good to excellent regioselectivities under mild reaction conditions.展开更多
基金National Natural Science Foundation of China(No.21988101)is greatly appreciated.
文摘Comprehensive Summary 2,3-Allenyl amines have shown wide applicability in biomedical and synthetic applications.Due to their enormous potential for applications,researchers have been dedicated to the development of methods for synthesizing 2,3-allenyl amines.Herein,a palladium-catalyzed three-component reaction of 2-alkynyl-1,4-diol dicarbonates,organoboronic acids,and nitrogen nucleophiles forming 2,3-allenyl amines with excellent regio-and chemo-selectivity has been developed.Substrate compatibility and synthetic applications have been demonstrated.Control experiments supported a mechanism involving 1,2,3-triene-Pd species and methylene-π-allyl palladium species.
基金supported by the National Natural Science Foundation of China(No.22122308)Beijing National Laboratory for Molecular Sciences(BNLMS).Hong Gao is also partially supported by the Innovation Capability Support Program of Shaanxi Province(2023-CX-TD-49)supported by the China Postdoctoral Science Foundation(No.2020TQ0324).
文摘The dicarbon(C_(2))molecule is an important molecular species observed in many carbon-containing gaseous environments.The spectroscopic and dissociative studies of C_(2)have attracted great attention for a long time for understanding its electronic characters as well as the evolution and cycling of carbon in the universe.In this study,the lifetimes of C_(2)populated at the three high-lying electronic states of(2-4)^(3)Δ_(g) in the vacuum ultraviolet(VUV)region have been experimentally measured using a time-of-flight mass spectrometer and the VUV-pump-UV-probe photoionization scheme.The measurements showed that all the rovibronic levels in the 2(g)^(3)Δ_(g) state exhibit shorter lifetimes than the dynamical limit of the experimental method,consistent with the theoretically predicted radiative lifetimes.Dependence of the lifetime on the vibrational level was observed in the 3^(3)Δ_(g) state,and a marginal rotational dependence was noticed in the vʹ=1 vibrational level.For the 4^(3)Δ_(g) state,the rotationally resolved lifetimes in the vʹ=1 vibrational level were found to be slightly longer than those in the vʹ=0 and 2 vibrational levels.Such a complicated dependence of the lifetime on the rovibronic level makes further experimental and theoretical investigations highly desired for understanding the dynamics in the high-lying excited states of C_(2).
基金supported by Shanghai Supercomputer CenterProject supported by the National Natural Science Foundation of China (Grant No. 11872236)。
文摘Dilithium ethylene dicarbonate(Li_(2)EDC) and dilithium butylene dicarbonate(Li_(2)BDC) are the common organic compositions of the solid electrolyte interphase(SEI) layers in rechargeable lithium-ion batteries.The Li^(+) diffusion in the amorphous and ordered phases of Li_(2) EDC and Li_(2) BDC under various strains has been investigated by using molecular dynamics simulations.It is found that different strains lead to diverse changes in Li^(+) diffusivity.The tensile strain makes the Li+diffusion coefficients increase in amorphous and ordered Li_(2)EDC or Li_(2) BDC,and the compressive strain makes the Li+diffusion coefficients decrease in them.The average Li+coordination number calculation,ion conductivity calculation and the calculation of the residence autocorrelation function in amorphous and ordered Li_(2)EDC or Li_(2)BDC are performed to further analyze the strain effects on Li^(+) transport in them.The factors influencing Li^(+) diffusion in amorphous and ordered Li_(2)EDC or Li_(2) BDC under the strain are discussed.
基金the University of Kurdistan Research Council for the partial support of this work
文摘A simple and practical route is described for the synthesis of 2-efhoxy-（4H）-3,1 -benzoxazine-4-ones using the coupling reaction of anthranilic acid derivatives with diethyl dicarbonate following with fast cyclization of the carbamate adduct with a dehydrocyclization agent such as cyanuric chloride and N,N′-dicyclohexylcarbodiimide in PEG at room temperature.High yields of the products obtained under mild reaction conditions with simple work-up of the reaction mixture.
基金support from the Natural Science Foundation of Guangxi(2023GXNSFDA026063)National Natural Science Foundation of China(22261036)High-level Innovation Team and Outstanding Scholar Program in Guangxi Colleges and Universities.
文摘A regiodivergent synthesis of azetidines,5,6-dihydro-1,3-oxazines and 2,3-dihydro-1,4-oxazines has been achieved through palladium-catalyzed tandem allylic substitution reaction.This protocol provides a variety of heterocycles in satisfactory yields with good to excellent regioselectivities under mild reaction conditions.
