Structural and Electronic Impacts of the Axial Substitution at the Phosphorus Center of C(sp3)-Bridged P-Heterotriangulenes
Harrer S, Schühle JD, Neiß C, Günthert M, Mittmann L, Reule A, Leitner J, Rominger F, Görling A, Kivala M (2024)
Publication Type: Journal article
Publication year: 2024
Journal
Abstract
The structural and electronic properties of the dimethylmethylene-bridged P-heterotriangulene have been systematically modulated by functionalization of its phosphorus center. The optoelectronic properties of the obtained derivatives in solution were characterized by UV/Vis absorption and emission spectroscopy, cyclic voltammetry and 31P NMR spectroscopy. The solid state structures were analyzed by X-ray crystallography. The experimental results were corroborated by density functional theory calculations which revealed the crucial influence of the axial substitution on the bowl-shaped geometry of the phosphorus-centered polycyclic scaffold, which is proportional to the s-character of the P−X bond. The advantage of the bowl-shaped P-heterotriangulene scaffold was demonstrated by successful co-crystallization with fullerene C60.
Authors with CRIS profile
Christian Neiß
Lehrstuhl für Theoretische Chemie
Marina Günthert
Lehrstuhl für Physikalische Chemie I
Andreas Görling
Lehrstuhl für Theoretische Chemie
Additional Organisation(s)
Involved external institutions
Germany (DE)How to cite
APA:
Harrer, S., Schühle, J.D., Neiß, C., Günthert, M., Mittmann, L., Reule, A.,... Kivala, M. (2024). Structural and Electronic Impacts of the Axial Substitution at the Phosphorus Center of C(sp3)-Bridged P-Heterotriangulenes. European Journal of Organic Chemistry. https://doi.org/10.1002/ejoc.202400368
MLA:
Harrer, Siegfried, et al. "Structural and Electronic Impacts of the Axial Substitution at the Phosphorus Center of C(sp3)-Bridged P-Heterotriangulenes." European Journal of Organic Chemistry (2024).
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