Roedl, Christian and Wolf, Robert (2016) Cobalt(I) and Nickel(II) Complexes of Bis(1,3-diphosphacyclobutadiene) Sandwich Anions. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (5). pp. 736-742. ISSN 1434-1948, 1099-0682
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Complexes [(C4Me4)Co(CO)(2){Co(P(2)C(2)tBu(2))(2)}] (1, C4Me4 = tetramethylcyclobutadiene) and [CpNi{Co(P(2)C(2)tBu(2))(2)}-(PPh3)] (2, Cp = cyclopentadienyl) were synthesized by transmetalating [Tl(thf)(2){Co(P(2)C(2)tBu(2))(2)}] with [(C4Me4)Co(CO)(2)I] and [CpNiBr(PPh3)]. Compounds 1 and 2 were fully characterized by X-ray crystallography, multinuclear NMR, UV/Vis, and IR spectroscopy, and elemental analysis. Their molecular structures show s-coordination of one phosphorus atom of the [Co(P(2)C(2)tBu(2))(2)]anion to the second metal atom (cobalt or nickel). Time-dependent density functional theory (TD-DFT) calculations were applied to gain insight into the electronic structures and the nature of the electronic transitions observed in the UV/Vis spectra. Cyclic voltammetry studies revealed the similar redox behavior of 1 and 2, which are reversibly oxidized to the corresponding monocations 1(+) and 2(+) with retention of the di-nuclear structures. The cyclic voltammograms furthermore show that 1 and 2 decompose upon reduction with cleavage of the dinuclear structures into the free [Co(P(2)C(2)tBu(2))(2)](-) anion and further uncharacterized products.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | GAUSSIAN-BASIS SETS; MOLECULAR-STRUCTURE; CRYSTAL-STRUCTURES; PHOSPHORUS-HETEROCYCLES; UNUSUAL COORDINATION; CORRELATION-ENERGY; METAL-COMPLEXES; HARTREE-FOCK; 1ST EXAMPLE; ATOMS LI; Cobalt; Nickel; Phosphorus; Sandwich complexes; Diphosphacyclobutadiene complexes |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Anorganische Chemie Chemistry and Pharmacy > Institut für Anorganische Chemie > Arbeitskreis Prof. Dr. Robert Wolf |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 12 Mar 2019 13:12 |
| Last Modified: | 12 Mar 2019 13:12 |
| URI: | https://pred.uni-regensburg.de/id/eprint/2435 |
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