Journal article
A new class of hexadentate thioether-containing ligands and their complexes with nickel(II)
Polyhedron, v 256, 116960
01 Jul 2024
Featured in Collection : UN Sustainable Development Goals @ Drexel
Abstract
A new series of hexadentate thioether-containing ligands was designed and their nickel(II) dicationic pseudo-octahedral complexes were characterized by X-ray diffraction, electronic absoption spectra and electrochemistry. DFT calculations were employed to illuminate their ground state properties. The electrochemical behaviour of the complexes is consistent with irreversible n = 1 redox processes around −1.0 V, formally assignable to a Ni(II)/Ni(I) couple.
A new series of hexadentate thioether-containing ligands was designed. Five nickel(II) dicationic pseudo-octahedral complexes synthesised with them revealed different degrees of deviation from ideal geometry. The electronic absorption spectra confirm the formation of high-spin octahedral [NiN4S2]2+chromophores with a large covalency typical for Ni(II) thioether complexes. DFT calculations help assign the chelating agent transitions, and support the Ni(II) high-spin ground state assignments, while suggesting that the SOMOs have mainly ligand character. The electrochemical behaviour of the complexes is consistent with irreversible n = 1 redox processes around −1.0 V, formally assignable to the Ni(II)/Ni(I) couple. Ligand reduction and large current augmentation due to catalytic H2production are also observed in this region.
Metrics
11 Record Views
Details
- Title
- A new class of hexadentate thioether-containing ligands and their complexes with nickel(II)
- Creators
- Vitaly V. Pavlishchuk - L.V. Pisarzhevskii Institute of Physical ChemistryMolly A. O'Connor - Department of Chemistry, Drexel University, 3141 Chestnut St., Philadelphia, PA 19104-2816, USAMatthias Zeller - Purdue University West LafayetteRaymond J. Butcher - Chemistry Department Howard University, 525 College St. N.W., Washington, DC 20059, USAAnthony W. Addison - Drexel University, Chemistry
- Publication Details
- Polyhedron, v 256, 116960
- Publisher
- Elsevier
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Chemistry
- Web of Science ID
- WOS:001232472500001
- Scopus ID
- 2-s2.0-85190818018
- Other Identifier
- 991022024011404721
UN Sustainable Development Goals (SDGs)
This publication has contributed to the advancement of the following goals:
InCites Highlights
Data related to this publication, from InCites Benchmarking & Analytics tool:
- Collaboration types
- Domestic collaboration
- International collaboration
- Web of Science research areas
- Chemistry, Inorganic & Nuclear
- Crystallography