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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:
It is part of: Journal of Chemical Physics, 2014, vol. 140, p. 164903-1-164903-9
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ISSN: 0021-9606
Appears in Collections:Articles publicats en revistes (Ciència dels Materials i Química Física)

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