Phosphanyl-Substituted Siloles: Synthesis, Optical and Electrochemical Studies and Computations

Réka Mokrai, Tamás Holczbauer, Csaba Fekete, Balázs Volk, Vincent Dorcet, Pierre Antoine Bouit, László Nyulászi, Muriel Hissler, Ilona Kovács, Zoltán Benkő

Research output: Contribution to journalArticle

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.

Original languageEnglish
Pages (from-to)1794-1802
Number of pages9
JournalEuropean Journal of Inorganic Chemistry
Volume2020
Issue number18
DOIs
Publication statusPublished - May 14 2020

Keywords

  • Phosphanyl
  • Silole
  • TD-DFT calculations
  • UV/Vis spectroscopy

ASJC Scopus subject areas

  • Inorganic Chemistry

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    Mokrai, R., Holczbauer, T., Fekete, C., Volk, B., Dorcet, V., Bouit, P. A., Nyulászi, L., Hissler, M., Kovács, I., & Benkő, Z. (2020). Phosphanyl-Substituted Siloles: Synthesis, Optical and Electrochemical Studies and Computations. European Journal of Inorganic Chemistry, 2020(18), 1794-1802. https://doi.org/10.1002/ejic.202000163