|
Type |
Poster Presentation |
Area |
Physical Chemistry |
Room No. |
Event Hall |
Time |
4월 20일 (금요일) 11:00~12:30 |
Code |
PHYS.P-88 |
Subject |
Assignment for a Reaction Coordinate of Excited-State intramolecular Proton Transfer in HBQ |
Authors |
Wooseok Heo, Taiha Joo* Department of Chemistry, Pohang University of Science and Technology, Korea |
Abstract |
Assignment of reaction coordinate has been a subject of extensive investigations. Here we report excited-state intramolecular proton transfer dynamics of 10-hydroxybenzo[h]quinolone (HBQ) in solution by time-resolved fluorescence (TF) and ab initio calculation. The excited-state intramolecular proton transfer (ESIPT) is prototype of excited-state reaction. HBQ is one of the most prominent ESIPT system via a pre-existing six-membered ring hydrogen bond configuration, and its rate is exceedingly fast (~20 fs). Highly time-resolved fluorescence measurement allows acquisition of accurate reaction kinetics. Upon photoexcitation of 10-aminobenzo[h]quinolone (ABQ) and its derivatives, the proton is transferred in different reaction depending on capability of an electron withdrawing group attached to a proton donor. Coherent wave packet motions of the product (tautomer) enable acquisition of the vibrational spectra of excited-state via TF (VETF). Comparison of the VETFs of the product and calculation of the Huang-Rhys factors (vibrational reorganization energy) identifies the vibrational mode that actively participate the coherent proton transfer. In particular, the 393 cm-1 vibrational mode, which consists of deformation and bending motion of backbone, promotes the ESIPT by transferring the proton donor and acceptor. |
E-mail |
crmarine@postech.ac.kr |
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