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

详细信息    查看全文

• 作者：Patrycja Kowalska ; Sylwester Gawinkowski ; Tridib Sarma ; Pradeepta K. Panda ; Jacek Waluk
• 刊名：Journal of Physical Chemistry A
• 出版年：2014
• 出版时间：February 13, 2014
• 年：2014
• 卷：118
• 期：6
• 页码：1038-1046
• 全文大小：483K
• ISSN：1520-5215

文摘

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 hard-chromophore character of cyclo[4]naphthobipyrroles, i.e., 螖HOMO 螖LUMO. 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.