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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Twisted Intramolecular Charge Transfer of 2-(4'-N,N-Dimethylaminophenyl)pyrido[3,4-d]imidazole in Cyclodextrins: Effect of pH 2-(4'-N,N-Dimethylaminophenyl)pyrido[3,4-d]imidazole in Cyclodextrins: Effect of pH
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Twisted Intramolecular Charge Transfer of 2-(4'-N,N-Dimethylaminophenyl)pyrido[3,4-d]imidazole in Cyclodextrins: Effect of pH 2-(4'-N,N-Dimethylaminophenyl)pyrido[3,4-d]imidazole in Cyclodextrins: Effect of pH

机译：环糊精中2-（4'-N，N-二甲基氨基苯基）吡啶并[3,4-d]咪唑的扭曲分子内电荷转移：pH 2-（4'-N，N-二甲基氨基苯基）吡啶并[3,4- d]环糊精中的咪唑：pH值的影响

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摘要

Absorption, fluorescence, and fluorescence excitation spectra of 2-(4'-N,N-dimethylaminophenyl)pyrido[3,4-d]imidazole (DMAPPI) have been studied as a function of cyclodextrins (CDxs) and acid concentrations. The above study has revealed that a -NMe_2 group enters into the CDx cavity and a pyridoimidazole (PI) ring is present at the interface. The ＝N_3~- atom and > NH group of the PI ring are involved in the hydrogen bonding with the water molecule present at the interface and/or with the hydroxyl groups of the CDxs, and the ＝N_6~- atom is involved in hydrogen bonding with the bulk water. Two monocations (MCl and MC3) are present in the S_0 state, and MC2 and MC3 are present in the S_1 state. MC2 emission is observed when MC1 is excited to the S_1 state and involves biporotonic phototautomerism, whereas for the MC3 the emission is not observed from the locally excited state, but observed from the twisted intramolecular charge transfer (TICT) state. Fluorescence band maxima of all the bands are blue shifted and their fluorescence quantum yields are enhanced when DMAPPI is encapsulated in the CDxs cavity. The enhancement and the relative blue shifts observed in the band maxima of the TICT band are larger than those of the normal band.
机译：研究了2-（4'-N，N-二甲基氨基苯基）吡啶并[3,4-d]咪唑（DMAPPI）的吸收光谱，荧光光谱和荧光激发光谱，它们是环糊精（CDxs）和酸浓度的函数。上述研究表明，-NMe_2基团进入CDx腔，并且在界面处存在吡啶并咪唑（PI）环。 PI环的＝ N_3〜-原子和> NH基团与存在于界面的水分子和/或CDxs的羟基氢键合，而＝ N_6〜-原子与氢原子键合与大量水结合。在S_0状态下存在两个单阳离子（MC1和MC3），在S_1状态下存在MC2和MC3。当MC1激发到S_1状态并涉及双孔光互变异构现象时，观察到MC2发射，而对于MC3，则不是从局部激发态观察到发射，而是从扭曲的分子内电荷转移（TICT）状态观察到发射。当DMAPPI封装在CDxs腔中时，所有波段的荧光带最大值都发生了蓝移，并且其荧光量子产率得到了提高。在TICT频段的最大值范围内观察到的增强和相对蓝移大于正常频段。

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