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| Verfasst von: | Wiesner, Sven [VerfasserIn]  |
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| | Wagner, Arne [VerfasserIn] |
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| | Hübner, Olaf [VerfasserIn] |
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| | Kaifer, Elisabeth [VerfasserIn] |
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| | Himmel, Hans-Jörg [VerfasserIn] |
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| Titel: | Thermochromism of CuI tetrakisguanidine complexes |
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| Titelzusatz: | reversible activation of metal-to-ligand charge-transfer bands |
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| Verf.angabe: | Sven Wiesner, Arne Wagner, Olaf Hübner, Elisabeth Kaifer, and Hans-Jörg Himmel |
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| E-Jahr: | 2015 |
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| Jahr: | September 29, 2015 |
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| Umfang: | 10 S. |
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| Fussnoten: | Gesehen am 01.07.2020 ; Im Titel ist "I" in CuI hochgestellt |
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| Titel Quelle: | Enthalten in: Chemistry - a European journal |
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| Ort Quelle: | Weinheim : Wiley-VCH, 1995 |
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| Jahr Quelle: | 2015 |
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| Band/Heft Quelle: | 21(2015), 46, Seite 16494-16503 |
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| ISSN Quelle: | 1521-3765 |
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| Abstract: | Abstract Tetranuclear, intensely blue-coloured CuI complexes were synthesised in which two Cu2X3? units (X=Br or I) are bridged by a dicationic GFA (guanidino-functionalised aromatic) ligand. The UV/Vis spectra show a large metal-to-ligand charge-transfer (MLCT) band around 638?nm. The tetranuclear ?low-temperature? complexes are in a temperature-dependent equilibrium with dinuclear CuI ?high-temperature? complexes, which result from the reversible elimination of two CuX groups. A massive thermochromism effect results from the extinction of the strong MLCT band upon CuX elimination with increasing temperature. For all complexes, quantum chemical calculations predict a small and method-dependent energy difference between the possible electronic structures, namely CuI and dicationic GFA ligand (closed-shell singlet) versus CuII and neutral GFA ligand (triplet or broken-symmetry state). The closed-shell singlet state is disfavoured by hybrid-DFT functionals, which mix in exact Hartree?Fock exchange, and is favoured by larger basis sets and consideration of a polar medium. |
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| DOI: | doi:10.1002/chem.201502584 |
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| URL: | Bitte beachten Sie: Dies ist ein Bibliographieeintrag. Ein Volltextzugriff für Mitglieder der Universität besteht hier nur, falls für die entsprechende Zeitschrift/den entsprechenden Sammelband ein Abonnement besteht oder es sich um einen OpenAccess-Titel handelt.
Volltext ; Verlag: https://doi.org/10.1002/chem.201502584 |
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| | Volltext: https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/chem.201502584 |
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| | DOI: https://doi.org/10.1002/chem.201502584 |
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| Datenträger: | Online-Ressource |
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| Sprache: | eng |
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| Sach-SW: | charge-transfer |
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| | coordination compounds |
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| | copper |
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| | electronic structure |
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| | guanidine |
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| | redox-active ligands |
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| K10plus-PPN: | 1703150198 |
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| Verknüpfungen: | → Zeitschrift |
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Thermochromism of CuI tetrakisguanidine complexes / Wiesner, Sven [VerfasserIn]; September 29, 2015 (Online-Ressource)
