Structure, Electronic States, and Anion-Binding Properties of Cyclo[4]naphthobipyrroles

Patrycja Kowalska; Sylwester Gawinkowski; Tridib Sarma; Pradeepta K. Panda; Jacek Waluk

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Structure, Electronic States, and Anion-Binding Properties of Cyclo[4]naphthobipyrroles

机译：环[4]萘联吡咯的结构，电子态和阴离子结合特性

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Three octaalkyl-substituted cyclo[4]-naphthobipyrroles, studied in solution in the form of their sulfates, reveal absorption and magnetic circular dichroism (MCD) spectra very similar to those of the parent cyclo[8]-pyrrole. A unique feature of these systems is a strong absorption in the near IR region. The analysis of MCD patterns based on a perimeter model reveals a hardchromophore character of cyclo[4]naphthobipyrroles, i.e., ΔHOMO ? ΔLUMO. Comparison of Raman spectra obtained for crystalline samples and solutions, combined with the analysis of absorption and MCD spectra based on quantum chemical calculations reveals that cyclo[4]naphthobipyrroles exist in solutions as undissociated sulfates of the doubly protonated forms.

机译：在溶液中以硫酸盐形式研究的三个八烷基取代的环[4]-萘联吡咯具有相似于母体环[8]-吡咯的吸收光谱和磁圆二色性（MCD）光谱。这些系统的独特之处是在近红外区域具有很强的吸收能力。基于周长模型的MCD图谱分析揭示了环[4]萘联吡咯的硬发色特性，即ΔHOMOβ。 ΔLUMO。比较晶体样品和溶液获得的拉曼光谱，并结合基于量子化学计算的吸收光谱和MCD光谱，发现环[4]萘联吡咯以未离解的双质子化硫酸盐形式存在于溶液中。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2014年第6期|共9页
作者
Patrycja Kowalska; Sylwester Gawinkowski; Tridib Sarma; Pradeepta K. Panda; Jacek Waluk;
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Structure; States; Anion-Binding;

机译：结构;状态;阴离子结合;

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1. Structure, Electronic States, and Anion-Binding Properties of Cyclo[4]naphthobipyrroles [J] . Patrycja Kowalska, Sylwester Gawinkowski, Tridib Sarma, The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2014,第6期

机译：环[4]萘联吡咯的结构，电子态和阴离子结合特性
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Structure, Electronic States, and Anion-Binding Properties of Cyclo[4]naphthobipyrroles

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