Changes of dipole moment in intramolecular proton transfer process of perylenequinone  

作　　者：ZHANG Hongyu Department of Biology, Provincial Key Laboratory of Animal Resistance Biology, Shandong Teachers University, Jinan 250014, China 

出　　处：《Chinese Science Bulletin》1998年第16期1380-1384,共5页

基　　金：ThisworkwassupportedbyDoctoralFoundationofScienceofShandongTeachersUniversity

摘　　要：Semiempirical quantum chemistry method AM1 was employed to calculate dipole moment of perylenequinone (PQ) in intramolecular proton transfer (IPT) process. It was found that there existed a maximum of dipole moment in all IPT process except PQ anion (PQ) which possessed a minimum. Moreover, almost all states of PQ except ground state had high changes in dipole moment. All of these laid foundations to clarify solvent effects in IPT of PQ.Semiempirical quantum chemistry method AM1 was employed to calculate dipole moment of perylenequinone (PQ) in intramolecular proton transfer (IPT) process. It was found that there existed a maximum of dipole moment in all IPT process except PQ anion (PQ) which possessed a minimum. Moreover, almost all states of PQ except ground state had high changes in dipole moment. All of these laid foundations to clarify solvent effects in IPT of PQ.

关 键 词：perylenequinone INTRAMOLECULAR PROTON TRANSFER DIPOLE MOMENT AM1 method. 

分 类 号：Q503[生物学—生物化学]