| Literature DB >> 28586154 |
Abhishek Koner1, Gregor Pfeifer1, Zsolt Kelemen2, Gregor Schnakenburg1, László Nyulászi2, Takahiro Sasamori3, Rainer Streubel1.
Abstract
1,4-Diphosphinines that are fused to two thiourea units were synthesized from the corresponding tricyclic 1,4-dichloro-1,4-dihydro-1,4-diphosphinines, and their structures and spectroscopic features are described. Electrochemical studies revealed very low oxidation potentials, which are due to the effective π-interaction between the 1,4-diphosphinine ring and the orbitals of the two ylidic C=S bonds. In accordance with the low-lying LUMO, which is largely localized at the two phosphorus centers, dianion formation is strongly preferred. Despite the small HOMO-LUMO gap, which is in accordance with the red color of the title compounds, theoretical calculations suggest considerable aromaticity for the 1,4-diphosphinine ring.Entities:
Keywords: aromaticity; cyclic voltammetry; density functional calculations; dihydrodiphosphinines; diphosphinines
Year: 2017 PMID: 28586154 DOI: 10.1002/anie.201704070
Source DB: PubMed Journal: Angew Chem Int Ed Engl ISSN: 1433-7851 Impact factor: 15.336