Photoluminescence of Ni(II), Pd(II), and Pt(II) Complexes [M(Me2dpb)Cl] Obtained from C‒H Activation of 1,5-Di(2-pyridyl)-2,4-dimethylbenzene (Me2dpbH)

Kletsch, L.; Jordan, R.; Köcher, A. S.; Buss, S.; Strassert, C. A.; Klein, A.

Research article (journal) | Peer reviewed

Abstract

The three complexes [M(Me2dpb)Cl] (M = Ni, Pd, Pt) containing the tridentate N,C,N-cyclometalating 3,5-dimethyl-1,5-dipyridyl-phenide ligand (Me2dpb−) were synthesised using a base-assisted C‒H activation method. Oxidation potentials from cyclic voltammetry increased along the series Pt < Ni < Pd from 0.15 to 0.74 V. DFT calculations confirmed the essentially ligand-centred π*-type character of the lowest unoccupied molecular orbital (LUMO) for all three complexes in agreement with the invariant reduction processes. For the highest occupied molecular orbitals (HOMO), contributions from metal dyz, phenyl C4, C2, C1, and C6, and Cl pz orbitals were found. As expected, the dz2 (HOMO-1 for Ni) is stabilised for the Pd and Pt derivatives, while the antibonding dx2−y2 orbital is de-stabilised for Pt and Pd compared with Ni. The long-wavelength UV-vis absorption band energies increase along the series Ni < Pt

Details about the publication

JournalMolecules
Volume26
Issue16
StatusPublished
Release year2021
Language in which the publication is writtenEnglish
DOI: 10.3390/molecules26165051
Link to the full texthttps://www.mdpi.com/1420-3049/26/16/5051
Keywords C‒H activation; TD-DFT-calculated

Authors from the University of Münster

Strassert, Cristian
Professoship for Coordination Chemistry and Functional Imaging