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Synthesis, structures, and photophysical properties of orange-red emissive Cu(I) complexes of 9,9-dimethyl-4,5-bis(diphenylphosphino)-9H-xanthene (Xantphos) with the substituted N-hetercycle carbene (NHC) ligand.
- Source :
-
Journal of Organometallic Chemistry . Jun2022, Vol. 968, pN.PAG-N.PAG. 1p. - Publication Year :
- 2022
-
Abstract
- In the present study, a series of the four-coordinate N-hetercycle carbene (NHC) copper (I) complexes [Cu(Ph-Im-cyPy)(Xantphos)]PF 6 (P1), [Cu(DimBenPh-Im-cyPy)(Xantphos)]PF 6 (P2), and [Cu(BenDimBenIm-CNPy)(Xantphos)]PF 6 (P3), Ph-Im-cyPy=3-benzyl-1-(4-cyano-pyridin-2-yl)-1 H -imidazolylidene, DimBenPh-Im-cyPy=3-(3,5-dimethylbenzyl-1-(4-cyano-pyridin-2-yl)-1 H -imidazolylidene, BenDimBenIm-CNPy=3-benzyl-1-(4-cyano-pyridin-2-yl)-1 H -5,6-dimethylbenzimidazolylidene, Xantphos=9,9-dimethyl-4,5-bis(diphenylphosphino)-9 H -xanthene, have been synthesized and characterized. The molecular structures of P1 – P3 have been established by single-crystal X-ray diffraction study. In the solid state, P1 – P3 exhibit orange-red emission in the range of 621–643 nm with shorter excited-state lifetimes (τ) of 5.73–6.42 μs and the emission quantum yields (Φ) of 1.0–3.9 % at room temperature. Additionally, the photophysical properties are explained by using density functional theory (DFT) and time dependent DFT. [Display omitted] [ABSTRACT FROM AUTHOR]
- Subjects :
- *DENSITY functional theory
*MOLECULAR structure
*X-ray diffraction
Subjects
Details
- Language :
- English
- ISSN :
- 0022328X
- Volume :
- 968
- Database :
- Academic Search Index
- Journal :
- Journal of Organometallic Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 156713097
- Full Text :
- https://doi.org/10.1016/j.jorganchem.2022.122356