Recent studies have shown that the inner phase of carbon nanotubes(CNTs) can not only change the properties of molecules inside the tube,but also enhance or restrain the SN2 reactions.Thus,the CNTs can be considered a...Recent studies have shown that the inner phase of carbon nanotubes(CNTs) can not only change the properties of molecules inside the tube,but also enhance or restrain the SN2 reactions.Thus,the CNTs can be considered a form of solid solvent.In this paper,we study the [2+2] cycloaddition reaction between CH2O and PH3CH2 in the gas phase,benzene solution and inner phase of CNT using the density functional theory(DFT).The results indicate that the inner phase of CNT has little effect on the [2+2] cycloaddition reaction.This can be explained as that while taking the linear arrangement for SN2 reaction,the reactants do not possess the axial symmetry for the studied [2+2] cycloaddition reaction.Therefore,although the CNT has large axial polarizability,it can exert little influence on the [2+2] cycloaddition reaction.Our studies will be helpful for further understanding of the inner phase chemistry of CNTs.展开更多
Aphotoactive metal-organic complex[Zn2(BCbpe)2(p-DBC)2]∙5H2O(1) has been synthesized based on an olefin-containing pyridinium compound, 1-(4-carboxybenzyl)-4-[2-(4-pyridyl)-vinyl]pyridinium chloride(HBCbpeCl), and cha...Aphotoactive metal-organic complex[Zn2(BCbpe)2(p-DBC)2]∙5H2O(1) has been synthesized based on an olefin-containing pyridinium compound, 1-(4-carboxybenzyl)-4-[2-(4-pyridyl)-vinyl]pyridinium chloride(HBCbpeCl), and characterized by single-crystal X-ray diffraction, IR spectroscopy, powder X-ray diffraction and thermogravimetric analysis, respectively. In the solid state, the BCbpe ligands are packed in a head-to-tail manner through weak cation-π interaction, undergoing a photo-induced cycloaddition quantitatively upon UV-light irradiation.展开更多
基金Supported by the National Natural Science Foundation of China (Grant Nos. 20103003, 20573046, and 20773054)Doctor Foundation by the Ministry of Educa-tion of China (20070183028)+1 种基金Excellent Young People Foundation of Jilin Province (20050103)Program for New Century Excellent Talents in University (NCET)
文摘Recent studies have shown that the inner phase of carbon nanotubes(CNTs) can not only change the properties of molecules inside the tube,but also enhance or restrain the SN2 reactions.Thus,the CNTs can be considered a form of solid solvent.In this paper,we study the [2+2] cycloaddition reaction between CH2O and PH3CH2 in the gas phase,benzene solution and inner phase of CNT using the density functional theory(DFT).The results indicate that the inner phase of CNT has little effect on the [2+2] cycloaddition reaction.This can be explained as that while taking the linear arrangement for SN2 reaction,the reactants do not possess the axial symmetry for the studied [2+2] cycloaddition reaction.Therefore,although the CNT has large axial polarizability,it can exert little influence on the [2+2] cycloaddition reaction.Our studies will be helpful for further understanding of the inner phase chemistry of CNTs.
基金This work was supported by the National Natural Science Foundation of China(Nos.21871027 and 21573016).
文摘Aphotoactive metal-organic complex[Zn2(BCbpe)2(p-DBC)2]∙5H2O(1) has been synthesized based on an olefin-containing pyridinium compound, 1-(4-carboxybenzyl)-4-[2-(4-pyridyl)-vinyl]pyridinium chloride(HBCbpeCl), and characterized by single-crystal X-ray diffraction, IR spectroscopy, powder X-ray diffraction and thermogravimetric analysis, respectively. In the solid state, the BCbpe ligands are packed in a head-to-tail manner through weak cation-π interaction, undergoing a photo-induced cycloaddition quantitatively upon UV-light irradiation.
基金National Natural Science Foundation of China(No.21702006)China Postdoctoral Science Foundation Funded Project(No.2016M592826)PhD Scientific Research Projects of Baoji University of Arts and Sciences(No.ZK15045and ZK16060)
