Excited-state proton transfer induced [4+2] and [4+4] photocycloaddition reactions of an oxazolineMe

来源 :第十二届全国物理有机化学学术会议 | 被引量 : 0次 | 上传用户：frankcomet

【摘要】

：

[4+4] and [4+2] photocycloadditions have not computationally attracted the same level of attention as [2+2] photocycloadditions.Herein we have employed density-

【作者】

：

Chunxiang Li Pin Xiao Wei-Hai Fang Ganglong Cui

【机构】

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KeyLaboratoryofTheoreticalandComputationalPhotochemistry,MinistryofEducation,CollegeofChemistry,Beij

【出处】

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第十二届全国物理有机化学学术会议

【发表日期】

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2017年10期

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[4+4] and [4+2] photocycloadditions have not computationally attracted the same level of attention as [2+2] photocycloadditions.Herein we have employed density-functional theory(DFT),complete active-space self-consistent field(CASSCF),and its multi-state second-order perturbation theory(MSCASPT2) methods to systematically explore excited-state intramolecular proton transfer(ESIPT) induced [4+4] and [4+2] photocycloaddition mechanisms of an oxazoline.

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Excited-state proton transfer induced [4+2] and [4+4] photocycloaddition reactions of an oxazolineMe

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