Two novel bipolar Ir(III) complexes based on 9-(4-(pyridin-2-yl)phenyl)-9H-carbazole and N-heterocyclic ligand
Sign Up to like & getrecommendations! Published in 2017 at "Dyes and Pigments"
DOI: 10.1016/j.dyepig.2017.07.012
Abstract: Abstract Two novel bipolar Ir(III) complexes named (Czppy) 2 Ir(tfmptz) and (Czppy) 2 Ir(pptz) were synthesized and characterized, where the Czppy is 9-(4-(pyridin-2-yl)phenyl)-9H-carbazole, tfmptz refers to 2-(3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl)pyridine and Hpptz represents 2-(1H-tetrazol-5-yl)pyridine, respectively. Their molecular structures… read more here.
Keywords: phenyl carbazole; bipolar iii; pyridin phenyl; iii complexes ... See more keywords
Insights from QM/MM-ONIOM, PIXEL, NBO and DFT calculations: The molecular conformational origins for optical properties on (Z)-2-phenyl-3-(4-(pyridin-2-yl)-phenyl) acrylonitrile polymorphs
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2020.128016
Abstract: Abstract The optical properties on two polymorphic structures of (Z)-2-phenyl-3-(4-(pyridin-2-yl)- phenyl)acrylonitrile (PPyPAN) have been studied by the TD-DFT and QM/MM-ONIOM approaches. The quantitative analysis of intermolecular interactions in both polymorphs (polymorph-I and polymorph-II) was carried… read more here.
Keywords: molecule; phenyl acrylonitrile; phenyl pyridin; optical properties ... See more keywords
Crystal structure of fac-{5-[(hexylazaniumyl)methyl]-2-(pyridin-2-yl)phenyl-κ2 N,C 1}bis[2-(pyridin-2-yl)phenyl-κ2 N,C 1]iridium(III) chloride
Sign Up to like & getrecommendations! Published in 2018 at "Acta Crystallographica Section E: Crystallographic Communications"
DOI: 10.1107/s2056989018012811
Abstract: The asymmetric unit of the title compound, fac-[Ir(C11H8N)2(C18H24N2)]Cl or fac-[Ir(ppy)2(Hppy-NC6)]Cl, contains two [Ir(ppy)2(ppy-NC6)](H+) cations, two Cl− anions and a disordered solvent. In each complex molecule, the IrIII ion is coordinated by two C,N-bidentate 2-(pyridin-2-yl)phenyl ligands… read more here.
Keywords: pyridin phenyl; crystal structure; pyridin; fac ... See more keywords