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Updated: May 26, 2026

Scale-up Chemical Synthesis of Thermally-activated Delayed Fluorescence Emitters Based on the Dibenzothiophene-S,S-Dioxide Core
Published on: October 24, 2017
4,6-Bis(diphenyl-phosphan-yl)dibenzo[b,d]furan
Thashree Marimuthu1, Holger B Friedrich, Muhammad D Bala
1School of Chemistry, University of KwaZulu-Natal, Westville Campus, Private Bag X54001, Durban 4000, South Africa.
The study examined the crystal structure of a C36H26OP2 compound, revealing two molecules with slightly different conformations. The planar dibenzofuran core influences intramolecular phosphorus-phosphorus distances.
Area of Science:
- Crystallography and Molecular Structure
- Organophosphorus Chemistry
Background:
- Understanding the conformational flexibility of organophosphorus compounds is crucial for predicting their chemical behavior.
- The dibenzofuran scaffold is a key structural motif in various functional materials and ligands.
Purpose of the Study:
- To elucidate the crystal structure and molecular conformation of the title compound, C36H26OP2.
- To investigate the influence of the dibenzofuran unit's planarity on intramolecular phosphorus-phosphorus (P-P) distances.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed to determine the molecular structure.
- Conformational analysis focused on the dihedral angles of the phenyl ring substituents and the dibenzofuran core.
Main Results:
- The asymmetric unit contains two molecules with distinct phenyl ring substituent conformations.
- The dibenzofuran unit exhibits near-planarity, with measured dihedral angles of 3.20(3)° and 1.86(2)°.
- Intramolecular P-P distances were found to be 5.574(2) Å and 5.485(2) Å, influenced by the core's planarity.
Conclusions:
- The crystal structure of C36H26OP2 reveals subtle conformational differences between molecules in the asymmetric unit.
- The planarity of the dibenzofuran moiety plays a significant role in dictating the spatial arrangement and proximity of the phosphorus atoms.
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