Strongly phosphorescent neutral rhenium(I) isocyanoborato complexes : Synthesis, characterization, and photophysical, electrochemical, and computational studies

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

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Author(s)

Detail(s)

Original languageEnglish
Pages (from-to)2603-2612
Journal / PublicationChemistry - A European Journal
Volume21
Issue number6
Online published11 Dec 2014
Publication statusPublished - 2 Feb 2015

Abstract

A new series of neutral isocyanoborato rhenium(I) diimine complexes [Re(CO)3(N∧N)(CNBR3)], where N∧N=bpy, 4,4′-Me2bpy, phen, 4,7-Me2phen, 2,9-Me2phen, 3,4,7,8-Me4phen; R=C6F5, C6H5, Cl, 4-ClC6H4, 3,5-(CF3)2C6H3, with various isocyanoborate and diimine ligands of diverse electronic and steric nature have been synthesized and characterized. The X-ray crystal structures of six complexes have also been determined. These complexes displayed intense bluish green to yellow phosphorescence at room temperature in dichloromethane solution. The photophysical and electrochemical properties of these complexes had been investigated. To elucidate the electronic structures and transitions of these complexes, DFT and TD-DFT calculations have been performed, which revealed that the lowestenergy electronic transition associated with these complexes originates from a mixture of MLCT [dπ(Re)→π∗(N∧N)] and LLCT [π(CNBR3)→π∗(N∧N)] transitions.

Research Area(s)

  • Charge transfer, Emissive materials, Isocyanoborate, Phosphorescence, Rhenium

Citation Format(s)

Strongly phosphorescent neutral rhenium(I) isocyanoborato complexes : Synthesis, characterization, and photophysical, electrochemical, and computational studies. / Chu, Wing-Kin; Wei, Xi-Guang; Yiu, Shek-Man; Ko, Chi-Chiu; Lau, Kai-Chung.

In: Chemistry - A European Journal, Vol. 21, No. 6, 02.02.2015, p. 2603-2612.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review