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http://ipicyt.repositorioinstitucional.mx/jspui/handle/1010/1224| Hybridization vs. bond stretching isomerism in Ru(II) cyclometalated complexes of 2-phenylpyridine | |
| Bertha Molina LARISSA ALEXANDROVA Ronan Le Lagadec LUIS ENRIQUE SANSORES CUEVAS DAVID RIOS JARA FRANCISCO ESPINOSA MAGAÑA | |
| Acceso Abierto | |
| Atribución-NoComercial-SinDerivadas | |
| http://dx.doi.org/10.3390/molecules17010034 | |
| Hybridization isomerism; Bond stretch isomerism Ru organometallic complexes Trans effect EELS spectroscopy Time dependent DFT calculations | |
| "The phenomenon of formation of two isomers, yellow and orange, of the cyclometalated Ru(II) complex, [Ru(o-C6H4-py)(MeCN)4]+, was investigated by EELS spectroscopy and theoretical calculations. Both forms show very similar structures and spectroscopic properties, but slight differences in X-ray data and absorption between them were noted. No double minimum on the potential energy surface was found and thus these two forms cannot be considered as bond stretching isomers. However, the DFT study revealed the change in the hybridization of the carbon in trans-position of one of acetonitrile ligands. This effect can be responsible for the difference in colour. The results of the theoretical modelling coincide well with the experimental EELS data." | |
| MDPI AG | |
| 2012-01 | |
| Artículo | |
| Inglés | |
| Público en general | |
| Molina, B., Alexandrova, L., LeLagadec, R., Sansores, L. E., Rios-Jara, D., Espinosa-Magaña, F., & Salcedo, R. (2011). Hybridization vs. Bond Stretching Isomerism in Ru(II) Cyclometalated Complexes of 2-Phenylpyridine. Molecules, 17(12), 34–47. MDPI AG. Retrieved from http://dx.doi.org/10.3390/molecules17010034 | |
| QUÍMICA ORGÁNICA | |
| Versión publicada | |
| publishedVersion - Versión publicada | |
| Aparece en las colecciones: | Publicaciones Científicas Nanociencias y Materiales |
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