Photoinduced proton coupled electron transfer in 2-(2′-Hydroxyphenyl) -benzothiazole

Luber S.; Adamczyk K.; Nibbering E.T.J.; Batista V.S.

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Photoinduced proton coupled electron transfer in 2-(2′-Hydroxyphenyl) -benzothiazole

机译：2-（2'-羟基苯基）-苯并噻唑中的光诱导质子偶联电子转移

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We characterize the structural and electronic changes during the photoinduced enol-keto tautomerization of 2-(2′-hydroxyphenyl)- benzothiazole (HBT) in a nonpolar solvent (tetrachloroethene). We quantify the redistribution of electronic charge and intramolecular proton translocation in real time by combining UV-pump/IR-probe spectroscopy and quantum chemical modeling. We find that the photophysics of this prototypical molecule involves proton coupled electron transfer (PCET), from the hydroxyphenyl to the benzothiazole rings, resulting from excited state intramolecular proton transfer (ESIPT) coupled to electron transfer through the conjugated double bond linking the two rings. The combination of polarization-resolved mid-infrared spectroscopy of marker modes and time-dependent density functional theory (TD-DFT) provides key insights into the transient structures of the molecular chromophore during ultrafast isomerization dynamics.

机译：我们表征了在非极性溶剂（四氯乙烯）中2-（2'-羟苯基）-苯并噻唑（HBT）的光致烯醇-酮互变异构过程中的结构和电子变化。通过结合紫外泵/红外探针光谱和量子化学建模，我们可以实时量化电荷的重新分布和分子内质子移位。我们发现该原型分子的光物理涉及质子偶联电子转移（PCET），从羟苯基到苯并噻唑环，这是由于激发态分子内质子转移（ESIPT）通过连接两个环的共轭双键与电子转移耦合而引起的。标记模式的偏振分辨中红外光谱技术和时变密度泛函理论（TD-DFT）的结合，为超快异构化动力学过程中分子发色团的瞬态结构提供了重要见识。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2013年第25期|共11页
作者
Luber S.; Adamczyk K.; Nibbering E.T.J.; Batista V.S.;
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正文语种 eng
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coupled; electron; transfer;

机译：耦合电子转移;

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1. Photoinduced proton coupled electron transfer in 2-(2′-Hydroxyphenyl) -benzothiazole [J] . Luber S., Adamczyk K., Nibbering E.T.J., The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2013,第25期

机译：2-（2'-羟基苯基）-苯并噻唑中的光诱导质子偶联电子转移
2. Electronic effect on the photophysical properties of 2-(2-hydroxyphenyl)benzothiazole-based excited state intramolecular proton transfer fluorophores synthesized by sonogashira-coupling reaction [J] . Xu Longfei, Wang Qin, Zhang Yanrong Dyes and Pigments . 2017,第Null期

机译：Sonogashira-偶联反应合成的2-（2-羟基苯基）苯并噻唑基激发态分子内质子转移荧光团的电子效应
3. Excited State Intramolecular Proton Transfer in Ethynyl-Extended Regioisomers of 2-(2 '-Hydroxyphenyl)benzothiazole: Effects of the Position and Electronic Nature of Substituent Groups [J] . Wang Qin, Xu Longfei, Niu Yahui, Chemistry, an Asian journal . 2016,第23期

机译：在2-（2'-羟基苯基）苯并噻唑的乙炔基扩展的区域异构体中的兴奋态分子内质子转移：取代基的位置和电子性质的影响
4. Vibrational and electronic properties of the proton transfer fluorophore 2-(5'-amino-2'-hydroxyphenyl)benzothiazole [C] . N. O. Lunardi, L. P. Etcheverry, F. S. Rodembusch, Symposium on Microelectronics Technology and Devices . 2016

机译：质子转移荧光团2-（5'-氨基-2'-羟基苯基）苯并噻唑的振动和电子性质
5. I. MECHANISTIC STUDIES OF THE PHOTOADDITION OF OLEFINS TO THE CARBON-NITROGEN DOUBLE BOND OF 3-ETHOXYISOINDOLENONE AND 2-(PARA-METHOXYPHENYL)-2-OXAZOLIN-4-ONE. II. THE PHOTOINDUCED ELECTRON TRANSFER CHEMISTRY OF DI-TERT-BUTYL NITROXIDE [D] . KEUTE, JOSEPH SCHOTZKO -1

机译：I.烯烃在3-乙氧基异吲哚酮和2-（对-甲氧基苯）-2-恶唑啉-4-酮的碳-氮双键中的光催化作用机理研究。二。二叔丁基丁基氮氧化物的光诱导电子转移化学
6. Determination of protonation states of iminosugar–enzyme complexes using photoinduced electron transfer [O] . Bo Wang, Jacob Ingemar Olsen, Bo W. Laursen, 2017

机译：使用光诱导电子转移测定亚氨基糖酶复合物的质子化状态
7. Photoinduced Proton and Charge Transfer in 2-(2′-Hydroxyphenyl)imidazo4,5-bpyridine [O] . Alfonso Brenlla, Manoel Veiga, J. Luis Pérez Lustres, 2013

机译：2-（2'-羟基苯基）咪唑的光突出质子和电荷转移4,5-B吡啶
8. Nonadiabatic Dynamics of Photoinduced Proton-Coupled Electron Transfer Processes. [R] . Gruebele, M. 2018

机译：光诱导质子耦合电子转移过程的非绝热动力学。

Photoinduced proton coupled electron transfer in 2-(2′-Hydroxyphenyl) -benzothiazole

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