Hyperbranched polyacrylate copolymers were synthesized by self\|condensing vinyl copolymerization (SCVCP) of 2\|[(2\|bromopropionyl)oxy]ethyl acrylate(BPEA) and methyl acrylate(MA) in the presence of a tetrafunctional...Hyperbranched polyacrylate copolymers were synthesized by self\|condensing vinyl copolymerization (SCVCP) of 2\|[(2\|bromopropionyl)oxy]ethyl acrylate(BPEA) and methyl acrylate(MA) in the presence of a tetrafunctional initiator(THABI).The structures of the polymers obtained were characterized by 1H\|NMR and SEC/refractive index(RI)/right anagle laser light scattering(RALLS)/differential viscometer(DV).Molecular weight(MW),molecular weight distribution(MWD) and degree of branching(DB) were influenced by conversion and initial feed molar ratio of BPEA,MA and THABI.The addition of THABI can narrow the MWDs of the polymers obtained.The results are consistent with our simulation result.展开更多
The reaction mechanism of the singlet biradical CF2 with O3 has been studied by using ab initio method at 6-31G(d) level. The single pomt energy calculations of the reactants,intermediate, transition state and product...The reaction mechanism of the singlet biradical CF2 with O3 has been studied by using ab initio method at 6-31G(d) level. The single pomt energy calculations of the reactants,intermediate, transition state and products of the reaction have been performed by MP2/6-31G(d)method The relative structure data of the reaction species are given The mechanism proposed here is that there are two stages in the reaction the reactant molecules combine first to form an stable energy-enriched intermediate, this stage has no energy barrier, and then the intermediate is decomposed to D=CF2O and O2 the energy barrier of this stge is 230.73 kJ mol-1(MP2/6-31G(d)HF/6-31G(d)). The reaction is exothermic by 461.06 kJ mol-1(MP2/6-31G(d)HF/6-31G(d)). The potential energy curve along the reaction path has been obtained by IRC calculations.展开更多
文摘Hyperbranched polyacrylate copolymers were synthesized by self\|condensing vinyl copolymerization (SCVCP) of 2\|[(2\|bromopropionyl)oxy]ethyl acrylate(BPEA) and methyl acrylate(MA) in the presence of a tetrafunctional initiator(THABI).The structures of the polymers obtained were characterized by 1H\|NMR and SEC/refractive index(RI)/right anagle laser light scattering(RALLS)/differential viscometer(DV).Molecular weight(MW),molecular weight distribution(MWD) and degree of branching(DB) were influenced by conversion and initial feed molar ratio of BPEA,MA and THABI.The addition of THABI can narrow the MWDs of the polymers obtained.The results are consistent with our simulation result.
文摘The reaction mechanism of the singlet biradical CF2 with O3 has been studied by using ab initio method at 6-31G(d) level. The single pomt energy calculations of the reactants,intermediate, transition state and products of the reaction have been performed by MP2/6-31G(d)method The relative structure data of the reaction species are given The mechanism proposed here is that there are two stages in the reaction the reactant molecules combine first to form an stable energy-enriched intermediate, this stage has no energy barrier, and then the intermediate is decomposed to D=CF2O and O2 the energy barrier of this stge is 230.73 kJ mol-1(MP2/6-31G(d)HF/6-31G(d)). The reaction is exothermic by 461.06 kJ mol-1(MP2/6-31G(d)HF/6-31G(d)). The potential energy curve along the reaction path has been obtained by IRC calculations.
