Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1171, Issue -, Pages 279-293Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.molstruc.2018.05.071
Keywords
Bisphosphine oxides; Bisphosphine sulfides; X-ray diffraction; Hirshfeld surface; Thermal stability; HOMO-LUMO; Photophysical properties; Optoelectronic materials
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Funding
- Tunisian Ministry of Higher Education and Scientific Research
- Hercules Foundation [AUGE/11/029]
- Special Research Fund UGent [01N03217]
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The structure of three symmetrical trans-alpha,alpha'-bis(diphenylphosphoryl)- and alpha,alpha'-bis(diphenylphosphorothioyl)cycloalkanones was investigated by FT-IR, NMR (H-1, P-31, C-13) and single crystal X-ray diffraction. Intermolecular interactions in the three crystal structures were further studied and confirmed using Hirshfeld surface analysis. Thermal, electronic (HOMO-LUMO) and photophysical properties of the title compounds were also investigated showing high thermal and kinetic stability, and good solid-state fluorescent properties, what make these compounds good candidates for further applications in organic optoelectronic materials. (C) 2018 Elsevier B.V. All rights reserved.
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