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Ni, Pd, and Pt Complexes of a Tetradentate Dianionic Thiosemicarbazone-based O^N^N^S Ligand

Title data

Haseloer, Alexander ; Denkler, Luca ; Jordan, Rose ; Reimer, Max ; Olthof, Selina ; Schmidt, Ines ; Meerholz, Klaus ; Hörner, Gerald ; Klein, Axel:
Ni, Pd, and Pt Complexes of a Tetradentate Dianionic Thiosemicarbazone-based O^N^N^S Ligand.
In: Dalton Transactions. Vol. 50 (3 March 2021) Issue 12 . - pp. 4311-4322.
ISSN 1477-9234
DOI: https://doi.org/10.1039/D1DT00272D

Project information

Project financing: Deutsche Forschungsgemeinschaft

Abstract in another language

New tetradentate phenolate O^N^N^S thiosemicarbazone (TSC) ligands and their Ni(II), Pd(II) and Pt(II) complexes were studied. The diamagnetic and square planar configured orange or red complexes show reversible reductive electrochemistry and in part reversible oxidative electrochemistry at very moderate potentials. DFT calculations show essentially pyridyl-imine centred lowest unoccupied molecular orbitals (LUMO) while the highest occupied molecular orbitals (HOMO) receive contributions from the phenolate moiety, the metal d orbitals and the TSC thiolate atom in keeping with UV-vis spectroelectrochemistry. DFT calculations in conjunction to IR spectra showed details of the molecular structures, the UV-vis absorptions were modelled through TD-DFT calculation with very high accuracy. UPS is fully consistent with UV-vis absorption and TD-DFT calculated data and show decreasing HOMO-LUMO gaps along the series Pd > Pt > Ni.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Inorganic Chemistry IV
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Inorganic Chemistry IV > Chair Inorganic Chemistry IV - Univ.-Prof. Dr. Birgit Weber
Faculties
Faculties > Faculty of Biology, Chemistry and Earth Sciences
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 540 Chemistry
Date Deposited: 15 Jun 2021 13:09
Last Modified: 15 Jun 2021 13:09
URI: https://eref.uni-bayreuth.de/id/eprint/65903