Revealing the marked differences of phosphorescence efficiencies on C˄N˄N‐coordinated Pt(II) complexes: A theoretical study

• Published in: Applied organometallic chemistry Vol. 35; no. 1
• Main Authors: Ren, Xue‐Feng, Liu, Xia, Kang, Guo‐Jun, Li, Ke
• Format: Journal Article
• Language: English
• Published: Chichester Wiley Subscription Services, Inc 01.01.2021
• Subjects: 3MC; Absorption spectra; Benzene; Chemistry; Conjugation; Decay; Density functional theory; Dipole moments; Electric dipoles; Ligands; MECP; Oscillator strengths; Phosphorescence; phosphorescence quantum yields

In this study, green phosphorescent Pt(II) complexes with N,N‐diphenyl‐6‐(1H‐pyrazol‐1‐yl)pyridin‐2‐amine (Ndpp) coordinated ligands, [Pt (Ndpp)Cl] 2a, [Pt (Ndpp)Pb, Pb = (prop‐1‐ynyl)benzene] 2b, and [Pt (Ndpp)CN] 2aCN were theoretically investigated by means of density functional theory and time‐...