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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Does PRODAN Prossess a Planar or Twisted Charge-Transfer Excited State? Photophysical Properties of Two PRODAN Derivatives
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Does PRODAN Prossess a Planar or Twisted Charge-Transfer Excited State? Photophysical Properties of Two PRODAN Derivatives

机译：PRODAN是否具有平面或扭曲的电荷转移激发态？两种PRODAN衍生物的光物理性质

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摘要

The synthesis and photochemical properties of 1-(4-methyl-1,2,3,4-tetrahydrobenzo[f]quinolin-8-yl)propan-1-one (7) and 2,2-dimethyl-1-(4-methyl-1,2,3,4-tetrahydrobenzo[f]quinolin-8-yl)propan-1-one (8) are reported. These compounds are models for PRODAN, 6-propionyl-2-(dimethylamino)naphthalene, where the dialkylamino group is forced to remain coplanar with the naphthalene ring. The Stokes shifts of 7 and 8 in various solvents are compared with those of PRODAN. The absorption and emission transitions are calculated by the AM1 semiempirical method employing a conductor-like screening model for solvent effects. The experimental and calculated solvatochroism of both model compounds are of the same magnitude as PRODAN, suggesting that all fluoresce from a planar ICT state.
机译：1-（4-甲基-1,2,3,4-四氢苯并[f]喹啉-8-基）丙-1-酮（7）和2,2-二甲基-1-（4）的合成及光化学性质报道了-甲基-1,2,3,4-四氢苯并[f]喹啉-8-基）丙-1-酮（8）。这些化合物是PRODAN 6-丙酰基-2-（二甲基氨基）萘的模型，其中二烷基氨基被迫与萘环保持共面。将各种溶剂中的斯托克斯位移分别为7和8与PRODAN进行比较。吸收和发射跃迁是通过AM1半经验方法计算得出的，该方法采用了类似导体的屏蔽模型来评估溶剂效应。两种模型化合物的实验和计算的溶剂致变色与PRODAN的幅度相同，表明所有荧光均来自平面ICT状态。

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