Conformational behavior, redox and spectroscopic properties of gold dithiolene complexes: [Au(iPr-thiazYdt)2]−1 (Y = O, S, Se)
| العنوان: | Conformational behavior, redox and spectroscopic properties of gold dithiolene complexes: [Au(iPr-thiazYdt)2]−1 (Y = O, S, Se) |
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| المؤلفون: | Thierry Roisnel, Dominique Lorcy, Agathe Filatre-Furcate, Frédéric Barrière, Olivier Jeannin |
| المساهمون: | Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), This work was granted access to the high performance computing resources of CINES (Montpellier, France) under the allocation 2017-A0020805032 awarded by GENCI. Financial support was obtained from ANR (Paris, France) under contract n° 12-BS07-0032-01., ANR-12-BS07-0032,GOLD-RRAM,Complexes dithiolene radicalaires d'or comme isolants de Mott pour le stockage de l'information(2012), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA) |
| المصدر: | Inorganica Chimica Acta Inorganica Chimica Acta, 2018, 469, pp.255-263. ⟨10.1016/j.ica.2017.09.050⟩ Inorganica Chimica Acta, Elsevier, 2018, 469, pp.255-263. ⟨10.1016/j.ica.2017.09.050⟩ |
| بيانات النشر: | HAL CCSD, 2018. |
| سنة النشر: | 2018 |
| مصطلحات موضوعية: | gold complex, 010405 organic chemistry, Chemistry, Ligand, Stereochemistry, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, X-ray diffraction, Inorganic Chemistry, Electronegativity, Chalcogen, Crystallography, dithiolene ligand, electrochemistry, rotamer, X-ray crystallography, Materials Chemistry, Molecule, [CHIM]Chemical Sciences, Physical and Theoretical Chemistry, Single crystal, Conformational isomerism, Isopropyl |
| الوصف: | International audience; Three monanionic gold dithiolene complexes with different exocyclic chalcogen atoms (O, S, Se) on the N-isopropyl-1,3-thiazoline-2-chalcogenone-4,5-dithiolate ligand, have been synthetized with the aim of modulating their properties. Due to the presence of the isopropyl (iPr) group in the plane of the thiazoline-2-chalcogenone ring, different syn and anti rotamers can exist, in solution and in the solid state. Characterization of these complexes by spectroscopic and electrochemical methods was carried out in order to investigate the influence of the size, electronegativity and polarizability of the exocyclic chalcogen atom. The molecular structure of the three anionic complexes [Au(iPr-thiazYdt)2]−1, with Y = O, S, Se, were established by single crystal X-ray diffraction studies. Theoretical calculations carried out at the DFT levels were realized on the three possible rotamers, syn/syn, syn/anti and anti/anti of the trans-[Au(iPr-thiazYdt)2]−1 complexes. |
| اللغة: | English |
| تدمد: | 0020-1693 |
| DOI: | 10.1016/j.ica.2017.09.050⟩ |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::870a5d9f32d655fefb4259516b03e1b5 https://univ-rennes.hal.science/hal-01619412/document |
| Rights: | OPEN |
| رقم الانضمام: | edsair.doi.dedup.....870a5d9f32d655fefb4259516b03e1b5 |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 00201693 |
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| DOI: | 10.1016/j.ica.2017.09.050⟩ |