Haseloer, Alexander ORCID: 0000-0003-0480-7568, Denkler, Luca Mareen
ORCID: 0000-0001-9955-9928, Jordan, Rose
ORCID: 0000-0003-0764-1639, Reimer, Max, Olthof, Selina
ORCID: 0000-0002-8871-1549, Schmidt, Ines, Meerholz, Klaus
ORCID: 0000-0001-7450-4672, Hoerner, Gerald
ORCID: 0000-0002-3883-2879 and Klein, Axel
ORCID: 0000-0003-0093-9619
(2021).
Ni, Pd, and Pt complexes of a tetradentate dianionic thiosemicarbazone-based O boolean AND N boolean AND N boolean AND S ligand.
Dalton Trans., 50 (12).
S. 4311 - 4323.
CAMBRIDGE:
ROYAL SOC CHEMISTRY.
ISSN 1477-9234
Abstract
New tetradentate phenolate (ONNS)-N-boolean AND-N-boolean AND-S-boolean AND 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 with 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 shows decreasing HOMO-LUMO gaps along the series Pd > Pt > Ni.
Item Type: | Journal Article | ||||||||||||||||||||||||||||||||||||||||
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URN: | urn:nbn:de:hbz:38-571704 | ||||||||||||||||||||||||||||||||||||||||
DOI: | 10.1039/d1dt00272d | ||||||||||||||||||||||||||||||||||||||||
Journal or Publication Title: | Dalton Trans. | ||||||||||||||||||||||||||||||||||||||||
Volume: | 50 | ||||||||||||||||||||||||||||||||||||||||
Number: | 12 | ||||||||||||||||||||||||||||||||||||||||
Page Range: | S. 4311 - 4323 | ||||||||||||||||||||||||||||||||||||||||
Date: | 2021 | ||||||||||||||||||||||||||||||||||||||||
Publisher: | ROYAL SOC CHEMISTRY | ||||||||||||||||||||||||||||||||||||||||
Place of Publication: | CAMBRIDGE | ||||||||||||||||||||||||||||||||||||||||
ISSN: | 1477-9234 | ||||||||||||||||||||||||||||||||||||||||
Language: | English | ||||||||||||||||||||||||||||||||||||||||
Faculty: | Unspecified | ||||||||||||||||||||||||||||||||||||||||
Divisions: | Unspecified | ||||||||||||||||||||||||||||||||||||||||
Subjects: | no entry | ||||||||||||||||||||||||||||||||||||||||
Uncontrolled Keywords: |
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URI: | http://kups.ub.uni-koeln.de/id/eprint/57170 |
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