Tuning the NLO response of bis-cyclometalated iridium(<scp>iii</scp>) complexes by modifying ligands: experimental and structural DFT analysis
Mansoor Akhtar, Muhammad Arif Ali, Aftab Ahmad Khan, Guo‐Gang Shan, Hong‐Liang Xu, Zhong-Min Su
Abstract
DFT calculations have been carried out to investigate two synthesized iridium(<sc>iii</sc>) complexes with substituted Phbd (1-phenyl-2-(pyridin-2-yl)-1<italic>H</italic>-benzo[<italic>d</italic>]imidazole) and Crbd (9-(4-(2-(pyridin-2-yl)-1<italic>H</italic>-benzo[<italic>d</italic>]imidazol-1-yl)phenyl)-9<italic>H</italic>-carbazole) as ancillary ligands.
Topics & Concepts
ChemistryIridiumStereochemistryCombinatorial chemistryOrganic chemistryCatalysisOrganic Light-Emitting Diodes ResearchOrganic and Molecular Conductors ResearchMagnetism in coordination complexes