Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Inorganic Chemistry called Luminescent Platinum(II) Complexes of N^N-^N Amido Ligands with Benzannulated N-Heterocyclic Donor Arms: Quinolines Offer Unexpectedly Deeper Red Phosphorescence than Phenanthridines, Author is Mandapati, Pavan; Braun, Jason D.; Killeen, Charles; Davis, Rebecca L.; Williams, J. A. Gareth; Herbert, David E., which mentions a compound: 12080-32-9, SMILESS is C1=CCC/C=CCC/1.[Pt+2].[Cl-].[Cl-], Molecular C8H12Cl2Pt, Application of 12080-32-9.
A platform for investigating the impact of π-extension in benzannulated, anionic pincer-type N^N-^N-coordinating amido ligands and their Pt(II) complexes is presented. Based on bis(8-quinolinyl)amine, sym. and asym. proligands bearing quinoline or π-extended phenanthridine (3,4-benzoquinoline) units are reported, along with their red-emitting, phosphorescent Pt(II) complexes of the form (N^N-^N)PtCl. Comparing the photophys. properties of complexes of (quinolinyl)amido ligands with those of π-extended (phenanthridinyl)amido analogs revealed a counterintuitive impact of site-selective benzannulation. Contrary to conventional assumptions regarding π-extension, and in contrast to isoenergetic lowest energy absorption bands and a red shift in fluorescence from the organic proligands, a blue shift of nearly 40 nm in the emission wavelength is observed for Pt(II) complexes with more extended bis(phenanthridinyl) ligand π-systems. Comparing the ground state and triplet excited state structures optimized from d. functional theory (DFT) and time-dependent-DFT calculations, we trace this effect to a greater rigidity of the benzannulated complexes, resulting in a higher energy emissive triplet state, rather than to a significant perturbation of orbital energies caused by π-extension. A counterintuitive impact of π-extension on luminescence from deep red emitting Pt(II) complexes of benzannulated, anionic pincer-type N^N-^N-coordinating amido ligands is reported. Contrary to conventional assumptions, isoenergetic lowest energy absorption bands and a red shift in fluorescence from the organic proligands, a blue shift in the emission wavelength is observed for Pt(II) complexes with more extended bis(phenanthridinyl) π-systems, traced to a greater rigidity of the benzannulated complexes and a higher energy triplet state.
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