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Delocalization of the unpaired spin density in some niobocene complexes with σ-donor, π-acceptors |
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| Authors: | Antonio Anti olo, Mariano Fajardo, Ernesto de Jesú s, Yves Mugnier,Antonio Otero |
| Affiliation: | a Departamento de Quimica Inorgánica Orgánica y Bioquímica, Facultad de Químicas, Universidad de Castilla-La Mancha, Paseo de la Universidad, 4, 13071 Ciudad Real Spain b Departamento de Quimica Inorgánica, Campus Universitario, Universidad de Alcalá de Henares, 28871 Alcalá de Henares Spain c Laboratoire de Synthèse et d'Electrosynthèse Organométalliques Associé au CNRS (UR4 33), Faculté des Sciences, 6 bd. Gabriel, 21000 Dijon France |
| Abstract: | Extended Hückel calculations and qualitative MO have been used to analyze the EPR data relevant to the localization of the unpaired spin density in several paramagnetic niobocene complexes with σ-donor π-acceptors, acetylene, aldehyde, ketene, ketenimine, and carbon disulfide. |
| Keywords: | Niobium Metallocenes Paramagnetism Extended Hückel calculations Electron spin resonance Cumulene |
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