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Title: | Diradicals acting through diamagnetic phenylene vinylene bridges: Raman spectroscopy as a probe to characterize spin delocalization |
Author: | Rodríguez González, Sandra Nieto-Ortega, Belén González Cano, Rafael C. Lloveras, Vega Novoa Vide, Juan J. Mota Valeri, Fernando Vidal Gancedo, José Rovira i Angulo, Concepció Veciana, Jaume Corro, Elena del Taravillo, Mercedes Baonza, Valentín G. López Navarrete, Juan T. Casado, Juan |
Keywords: | Espectroscòpia Raman Propietats magnètiques Química quàntica Raman spectroscopy Magnetic properties Quantum chemistry |
Issue Date: | 25-Apr-2014 |
Publisher: | American Institute of Physics |
Abstract: | We present a complete Raman spectroscopic study in two structurally well-defined diradical species of different lengths incorporating oligo p-phenylene vinylene bridges between two polychlorinated triphenylmethyl radical units, a disposition that allows sizeable conjugation between the two radicals through and with the bridge. The spectroscopic data are interpreted and supported by quantum chemical calculations. We focus the attention on the Raman frequency changes, interpretable in terms of: (i) bridge length (conjugation length); (ii) bridge conformational structure; and (iii) electronic coupling between the terminal radical units with the bridge and through the bridge, which could delineate through-bond spin polarization, or spin delocalization. These items are addressed by using the"oligomer approach" in conjunction with pressure and temperature dependent Raman spectroscopic data. In summary, we have attempted to translate the well-known strategy to study the electron (charge) structure of π−conjugated molecules by Raman spectroscopy to the case of electron (spin) interactions via the spin delocalization mechanism. |
Note: | Reproducció del document publicat a: http://dx.doi.org/10.1063/1.4871895 |
It is part of: | Journal of Chemical Physics, 2014, vol. 140, p. 164903-1-164903-9 |
URI: | http://hdl.handle.net/2445/54503 |
Related resource: | http://dx.doi.org/10.1063/1.4871895 |
ISSN: | 0021-9606 |
Appears in Collections: | Articles publicats en revistes (Ciència dels Materials i Química Física) |
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