Photophysics of the 6H-indolo2,3-bquinoline molecule: The excited-state double-proton-transfer process in perspective

Del Valle J.C.; Catalán J.

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Photophysics of the 6H-indolo2,3-bquinoline molecule: The excited-state double-proton-transfer process in perspective

机译：6H-吲哚并2,3-b喹啉分子的光物理学：激发态双质子转移过程的透视

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The doubly hydrogen-bonded homodimer of 11-propyl-6H-indolo2,3-bquinoline (11P6HIQ) has been reported elsewhere as a paradigm of the excited-state double-proton-transfer process through a concerted mechanism. Herein, a simpler molecular structure, 6H-indolo2,3-bquinoline (6HIQ), has been proposed as a counter example of the previous one. While the 11-propyl derivative seemingly forms doubly hydrogen-bonded homodimers, the 6HIQ molecule generate dimers similar to the card-pack dimers reported for the 1-azacarbazole molecule. The 11P6HIQ molecule has an emission centered at 560 nm (reported elsewhere), but in this work 6HIQ only exhibits emission at ca. 400 nm under the same experimental conditions. The stationary-state spectroscopy and quantum chemistry calculations demonstrate that the 6HIQ molecule exhibits aggregation on lowering the temperature from 298 to 123 K; however, this aggregate species is one other than the doubly hydrogen-bonded homodimer, and therefore, no double proton transfer can be undergone.

机译：11-丙基-6H-吲哚并[2,3-b]喹啉（11P6HIQ）的双氢键同型二聚体已在其他地方报道为通过协同机制的激发态双质子转移过程的范例。本文提出了一种更简单的分子结构，即6H-吲哚并[2,3-b]喹啉（6HIQ）作为前一种分子结构的反例。虽然 11-丙基衍生物似乎形成双氢键同型二聚体，但 6HIQ 分子产生的二聚体类似于 1-氮杂咔唑分子报道的卡片包二聚体。11P6HIQ分子的发射集中在560 nm（在其他地方报道），但在这项工作中，6HIQ在相同的实验条件下仅表现出约400 nm的发射。稳态光谱和量子化学计算表明，6HIQ分子在将温度从298 K降低到123 K时表现出聚集;然而，这种聚集体是双氢键同源二聚体之外的一种，因此不能进行双质子转移。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2011年第10期|1900-1907|共8页
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Del Valle J.C.; Catalán J.;
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Universidad Autónoma de Madrid, Química Física Aplicada, C-2-203, E-28049 Cantoblanco, Madrid, Spain;

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正文语种英语
中图分类物理化学（理论化学）、化学物理学;
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Photophysics of the 6H-indolo2,3-bquinoline molecule: The excited-state double-proton-transfer process in perspective

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