Changes of dipole moment in intramolecular proton transfer process of perylenequinone |
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Authors: | Hongyu Zhang |
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Institution: | (1) Department of Biology, Provincial Key Laboratory of Animal Resistance Biology, Shandong Teachers University, 250014 Jinan, China |
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Abstract: | 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. |
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Keywords: | perylenequinone intramolecular proton transfer dipole moment AM1 method |
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