Repositori institucional URV
| Author, as appears in the article.: | Karlin, K.D. Meyer, G.J. Neese, F. Zapata Rivera, J.E. Liakos, D.G. Saracini, C. |
| Journal publication year: | 2014 |
| ISSN: | 0002-7863 |
| Abstract: | Irradiation of the copper(II)-superoxide synthetic complexes [(TMG 3tren)CuII(O2)]+ (1) and [(PV-TMPA)CuII(O2)]+ (2) with visible light resulted in direct photogeneration of O2 gas at low temperature (from -40 C to -70 C for 1 and from -125 to -135 C for 2) in 2-methyltetrahydrofuran (MeTHF) solvent. The yield of O2 release was wavelength dependent: ?exc = 436 nm, = 0.29 (for 1), = 0.11 (for 2), and ?exc = 683 nm, = 0.035 (for 1), = 0.078 (for 2), which was followed by fast O2-recombination with [(TMG3tren)Cu I]+ (3) and [(PV-TMPA)CuI]+ (4). Enthalpic barriers for O2 rebinding to the copper(I) center (~10 kJ mol-1) and for O2 dissociation from the superoxide compound 1 (45 kJ mol-1) were determined. TD-DFT studies, carried out for 1, support the experimental results confirming the dissociative character of the excited states formed upon blue- or red-light laser excitation. |
| Article's DOI: | 10.1021/ja4115314 |
| Link to the original source: | http://pubs.acs.org/doi/abs/10.1021/ja4115314 |
| Paper version: | info:eu-repo/semantics/submittedVersion |
| licence for use: | https://creativecommons.org/licenses/by/3.0/es/ |
| Department: | Química Física i Inorgànica |
| Licence document URL: | https://repositori.urv.cat/ca/proteccio-de-dades/ |
| Thematic Areas: | Copper compounds |
| Entity: | Universitat Rovira i Virgili. |
| First page: | 1260 |
| Last page: | 1263 |
| Journal volume: | 136 |
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| File | Description | Format | |
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| DocumentPrincipal | DocumentPrincipal | application/pdf |
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