Universität zu Köln

Sandleben, Aaron ORCID: 0000-0002-4141-7406, Vogt, Nicolas ORCID: 0000-0002-3437-4882, Hoerner, Gerald and Klein, Axel ORCID: 0000-0003-0093-9619 (2018). Redox Series of Cyclometalated Nickel Complexes [Ni((R)Ph(R ')bpy)Br](+/0/-2-) (H-(R)Ph(R ')bpy = Substituted 6-Phenyl-2,2 '-bipyridine). Organometallics, 37 (19). S. 3332 - 3342. WASHINGTON: AMER CHEMICAL SOC. ISSN 1520-6041

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Abstract

New organonickel complexes [Ni((R)Ph(R')bpy)Br] carrying various substituted derivatives of the tridentate-(CNN)-N-Lambda-N-Lambda ligand 6-(phenyl-2-ide)-2,2'-bipyridine (-Phbpy) were synthesized from the precursor [Ni(COD)(2)] (COD = 1,5-cyclooctadiene) and the protoligands (ligand precursors) Br-(R)Ph(R')bpy. Several synthetic routes for the protoligands were studied and compared. All new compounds have been analyzed and spectroscopically characterized. From several complexes crystal and molecular structures Br were obtained from XRD experiments. UV-vis absorption spectroscopy and detailed electrochemical measurements reveal the impact of the various substituents on the electronic structure of the complexes. Quantum chemical DFT calculations illustrate the composition of highest occupied molecular orbitals (HOMO) and lowest unoccupied molecular orbitals (LUMO) and support the assignment of the single-electron reduction and oxidation products as bpy-localized ligand radical species and transient nickel(III) intermediates, respectively.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Sandleben, Aaron UNSPECIFIED orcid.org/0000-0002-4141-7406 UNSPECIFIED Vogt, Nicolas UNSPECIFIED orcid.org/0000-0002-3437-4882 UNSPECIFIED Hoerner, Gerald UNSPECIFIED UNSPECIFIED UNSPECIFIED Klein, Axel UNSPECIFIED orcid.org/0000-0003-0093-9619 UNSPECIFIED
URN:	urn:nbn:de:hbz:38-169493
DOI:	10.1021/acs.organomet.8b00559
Journal or Publication Title:	Organometallics
Volume:	37
Number:	19
Page Range:	S. 3332 - 3342
Date:	2018
Publisher:	AMER CHEMICAL SOC
Place of Publication:	WASHINGTON
ISSN:	1520-6041
Language:	English
Faculty:	Faculty of Mathematics and Natural Sciences
Divisions:	Faculty of Mathematics and Natural Sciences > Department of Chemistry > Institute of Inorganic Chemistry
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language ZETA VALENCE QUALITY; GAUSSIAN-BASIS SETS; COUPLING REACTIONS; ORGANONICKEL(II) COMPLEXES; MOLECULAR-STRUCTURE; TRANSITION-METALS; CRYSTAL-STRUCTURE; ALPHA-DIIMINES; ATOMS LI; C-C Multiple languages Chemistry, Inorganic & Nuclear; Chemistry, Organic Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/16949