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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