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Structure of 7697-46-3

Chemical Structure| 7697-46-3

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Phan, Son NT ; Teets, Thomas S ;

Abstract: Phosphorescent platinum(II) complexes often have low photoluminescence quantum yields (ΦPL) due to the less effective spin−orbit coupling (SOC) in square-planar geometries, leading to relatively small radiative rate constants (kr). In this work, seven new red-emitting heteroleptic cyclometalated Pt(II) complexes are described, with the goal of investigating ancillary ligands that promote fast kr values. The heteroleptic fourcoordinate complexes include 1-phenylisoquinoline as the cyclometalating ligand, paired with an anionic chelating ancillary ligand with either N^N, O^O, or mixed N^O coordination. More specifically, the ancillary ligands all contain anionic pyrrolide or phenoxide rings, paired with imine, carbonyl, pyridyl, or imidazolyl neutral donors. The seven compounds are structurally characterized by multinuclear NMR and six of the seven by single-crystal X-ray diffraction. A comprehensive study of photophysical properties shows that the compounds all exhibit red phosphorescence, some with a clear vibronic structure indicative of the substantial 3 (π → π*) character in the emissive excited state, involving the cyclometalating ligand, while others exhibit a photoluminescence profile suggestive of pronounced charge-transfer character in the triplet state. When measured in poly(methyl methacrylate) films, the highest kr achieved is 1.2 × 105 s −1, with photoluminescence quantum yields ranging from 0.14 to 0.38.

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Product Details of [ 7697-46-3 ]

CAS No. :7697-46-3
Formula : C11H9NO
M.W : 171.20
SMILES Code : O=C(C1=CC=CC=C1)C2=CC=CN2
MDL No. :MFCD00094048
InChI Key :NFGGQMYSOLVBLF-UHFFFAOYSA-N
Pubchem ID :24370

Safety of [ 7697-46-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
 

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