Relationship between π-Conjugation Size and Electronic Absorption Spectrum: Novel π-Conjugation Size Dependence of Indoaniline Dyes

Masafumi Adachi; Yukichi Murata

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Relationship between π-Conjugation Size and Electronic Absorption Spectrum: Novel π-Conjugation Size Dependence of Indoaniline Dyes

机译：π共轭尺寸与电子吸收光谱之间的关系：吲哚苯胺染料的新型π共轭尺寸依赖性。

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When the π-system at the quinone moiety in indoaniline dyes is expanded, the maximum absorption wavelength (λ_(max)) of the main band in the absorption spectrum shows a shift to shorter wavelength (hypsochromic shift). This behavior stands in contrast to the generally accepted rule that expansion of a π-system leads to a bathochromic shift in the absorption spectrum, and the behavior was therefore investigated using the INDO/S method. it could be shown that the present systems are multicomponent systems, in which highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) are located on different parts of the molecule. Therefore, only the LUMO rises in energy when the quinone system expands, thus leading to a widening of the HOMO-LUMO energy gap.

机译：当吲哚苯胺染料中醌部分的π系统扩大时，吸收光谱中主谱带的最大吸收波长（λ_（max））会向较短波长偏移（七色偏移）。该行为与公认的规则相反，后者是π系统的膨胀会导致吸收光谱中的红移，因此使用INDO / S方法研究了该行为。可以证明，本系统是多组分系统，其中最高占据分子轨道（HOMO）和最低未占据分子轨道（LUMO）位于分子的不同部分。因此，当醌系统膨胀时，只有LUMO的能量增加，从而导致HOMO-LUMO能隙的扩大。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |1998年第5期|共5页
作者
Masafumi Adachi; Yukichi Murata;
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中图分类物理化学（理论化学）、化学物理学;
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1. Relationship between :π-Conjugation Size and Electronic Absorption Spectrum: Novel π-Conjugation Size Dependence of Indoaniline Dyes [J] . Masafumi Adachi, Yukichi Murata The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 1998,第5a8期

机译：π共轭尺寸与电子吸收光谱之间的关系：吲哚苯胺染料的新型π共轭尺寸依赖性
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Relationship between π-Conjugation Size and Electronic Absorption Spectrum: Novel π-Conjugation Size Dependence of Indoaniline Dyes

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