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- Title
Phosphanyl‐Substituted Siloles: Synthesis, Optical and Electrochemical Studies and Computations.
- Authors
Mokrai, Réka; Holczbauer, Tamás; Fekete, Csaba; Volk, Balázs; Dorcet, Vincent; Bouit, Pierre‐Antoine; Nyulászi, László; Hissler, Muriel; Kovács, Ilona; Benkő, Zoltán
- Abstract
In this paper, we report the synthesis and characterization of a series of phosphanyl‐substituted siloles. The chemical modification (oxidation, sulfurization, alkylation and complexation) results in a change in the energy levels of frontier orbitals, which has been studied by UV/Vis absorption spectroscopy and electrochemistry. Significantly, despite their high "s" character the phosphorus lone pairs of the 2,5‐bisphosphanylsilole can combine with the π‐system of the silole core resulting in a somewhat destabilized HOMO. The structural aspects of these new siloles have been investigated employing single‐crystal X‐ray diffraction and DFT calculations.
- Subjects
SILOLES; NONBONDING electron pairs; ELECTROCHEMISTRY; X-ray diffraction; ALKYLATION; FRONTIER orbitals
- Publication
European Journal of Inorganic Chemistry, 2020, Vol 2020, Issue 18, p1794
- ISSN
1434-1948
- Publication type
Article
- DOI
10.1002/ejic.202000163