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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >12-Hydroxy-1-azaperylene-limiting case of the ESIPT system: Enol-keto tautomerization in S _0 and S _1 states
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12-Hydroxy-1-azaperylene-limiting case of the ESIPT system: Enol-keto tautomerization in S _0 and S _1 states

机译：ESIPT系统的12-羟基-1-氮杂萘-极限情况：S _0和S _1状态下的烯醇-酮互变异构

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摘要

Absorption, fluorescence, and fluorescence excitation spectra of 12-hydroxy-1-azaperylene (HAP) and 1-azaperylene were studied in n-alkane matrices at 5 K. Two stable tautomers of HAP, each of them in n-nonane embedded in two sites, were identified and attributed to the enol and keto forms. Theoretical calculations of the energy and vibrational structure of the spectra suggest that tautomer A, with the (0, 0) transition energy at 18 980 ± 10 cm ~(-1) (and 19 060 ± 10 cm ~(-1) in the high energy site), should be identified as the keto form, whereas tautomer B, with the (0, 0) energy at 19 200 ± 20 cm ~(-1) (19 290 ± 20 cm ~(-1)), as the enol form. Observation of absorption and fluorescence of both tautomeric forms and lack of large Stokes shift of fluorescence of the keto form classify HAP as the limiting case of the excited-state intramolecular proton transfer system.
机译：研究了在5 K的正构烷烃中12-羟基-1-氮杂戊烯（HAP）和1-氮杂戊烯的吸收光谱，荧光光谱和荧光激发光谱。确定了位点并归因于烯醇和酮形式。光谱的能量和振动结构的理论计算表明，互变异构体A的（0，0）跃迁能为18 980±10 cm〜（-1）（和19060±10 cm〜（-1））。高能位点）应被识别为酮形式，而互变异构体B的（0，0）能量为19200±20 cm〜（-1）（19290±20 cm〜（-1））为烯醇形式。观察到互变异构形式的吸收和荧光以及酮形式荧光缺乏大的斯托克斯位移，将HAP归类为激发态分子内质子转移系统的极限情况。

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