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Structure, electronic states, and anion-binding properties of cyclo[4]naphthobipyrroles.
- Source :
-
The journal of physical chemistry. A [J Phys Chem A] 2014 Feb 13; Vol. 118 (6), pp. 1038-46. Date of Electronic Publication: 2014 Jan 30. - Publication Year :
- 2014
-
Abstract
- 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., 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.
Details
- Language :
- English
- ISSN :
- 1520-5215
- Volume :
- 118
- Issue :
- 6
- Database :
- MEDLINE
- Journal :
- The journal of physical chemistry. A
- Publication Type :
- Academic Journal
- Accession number :
- 24476232
- Full Text :
- https://doi.org/10.1021/jp412139r