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| Content Provider | Royal Society of Chemistry (RSC) |
|---|---|
| Author | García, Luis García, Gabriel Laguna, Antonio Monge, Miguel Santana, M. Dolores García-Bueno, Rocío Pérez, José |
| Copyright Year | 2010 |
| Abstract | A series of heteroleptic quinolinolate pentacoordinated nickel(II) complexes, [Ni(mcN3)(R1,R2,R3-8-hq)](PF6), were synthesized and characterized by spectroscopic methods. Single-crystal X-ray diffraction studies for [(Me3-mcN3)Ni(N,O-2-CN-8-hq)][PF6] (6a), [(Me4-mcN3)Ni(N,O-8-hq)][PF6] (2b) and [(Me4-mcN3)Ni(N,O-5,7-I2-8-hq)][PF6] (5b) indicate that these complexes consist of a square-pyramidal ligand arrangement containing one chelating quinolinolate and one macrocyclic ligand (mcN3). Variation of the substituents on quinolinolate ligands imposes obvious electronic or structural effects on the nickel atom. These chromophores absorb moderately in the visible region and emit in the yellowish-green spectral region from a quinolinolate-centered intraligand charge-transfer excited state. The emission maxima are in the range 520–548 nm, with quantum yields between 0.11 and 1.63%, in deoxygenated organic solvents at room temperature. TD-DFT calculations allow exploration of the photophysical properties of complex [(Me4-mcN3)Ni(N,O-8-hq)][PF6] 2b and reveal the influence of the quinolinolate ligand on the HOMO/LUMO energies and oscillator strengths. |
| Starting Page | 1797 |
| Ending Page | 1806 |
| Page Count | 10 |
| File Format | HTM / HTML PDF |
| ISSN | 14779226 |
| Volume Number | 39 |
| Issue Number | 7 |
| Journal | Dalton Transactions |
| DOI | 10.1039/b917994a |
| Language | English |
| Publisher | Royal Society of Chemistry |
| Access Restriction | Open |
| Subject Keyword | Nickel X-ray crystallography Douglas O-2 Ligand Quantum |
| Content Type | Text |
| Resource Type | Article |
| Subject | Inorganic Chemistry |
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