Photoconductive Properties and Electronic Structure in 3,5-Disubstituted 2-(2′-Pyridyl)Pyrroles Coordinated to a Pd(II) Salicylideneiminate Synthon
| Autor: | Attilio Golemme, Alessandra Crispini, Iolinda Aiello, Pilar García-Orduña, Mario Amati, Nicolas Godbert, Francesco Lelj, M. La Deda, Andreea Ionescu, Roberto Termine, Mauro Ghedini |
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| Přispěvatelé: | Ministero dell'Istruzione, dell'Università e della Ricerca |
| Rok vydání: | 2021 |
| Předmět: | |
| Zdroj: | Inorganic Chemistry Digital.CSIC. Repositorio Institucional del CSIC instname |
| ISSN: | 1520-510X 0020-1669 |
| DOI: | 10.1021/acs.inorgchem.0c02991 |
| Popis: | The synthesis and the electrochemical, photophysical, structural, and photoconductive properties of three new heteroleptic Pd(II) complexes with various 3′,5′- disubstituted-2-(2′-pyridil) pyrroles H(N^N) as coordinated ligands are reported. The coordination of the metal center was completed by a functionalized Schiff base H(O^N) used as an ancillary ligand. The [(N^N)Pd(O^N)] complexes showed highly interesting photoconductive properties which have been correlated to their electronic and molecular structures. Theoretical density functional theory (DFT) and time-dependent DFT calculations were performed, and the results were confronted with the organization in crystalline phase, allowing to point out that the photoconductive properties are mainly a consequence of an efficient intramolecular ligand-to-metal charge transfer, combined to the proximity between the central metal and the donor moieties in the solid-state molecular stacks. The reported results confirm that these new Pd(II) complexes form a novel class of organometallic photoconductors with intrinsic characteristics suitable for molecular semiconductors applications. Supported by Ministero dell’Istruzione, dell’Universitàe della Ricerca by the ELIOTROPO. |
| Databáze: | OpenAIRE |
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