Two thiophene-based heterophenoquinones, representing a family of molecules that exhibit biradicaloid character, have been studied by a combination of electron paramagnetic resonance (EPR), nuclear magnetic resonance (NMR), Raman, infrared (IR), and synchrotron or single-crystal X-ray diffraction measurements. This combined approach provided a detailed picture of the previously unknown electronic structure of the molecules in terms of two nearby states: a closed-shell diamagnetic state and a nearby biradical state, which is thermally populated.

Meeting the Challenging Magnetic and Electronic Structure of Thiophene-Based Heterophenoquinones

COLELLA, LETIZIA;MAGHSOUMI, ALI;Martí Rujas, Javier;TOMMASINI, MATTEO MARIA SAVERIO;BERTARELLI, CHIARA;
2016

Abstract

Two thiophene-based heterophenoquinones, representing a family of molecules that exhibit biradicaloid character, have been studied by a combination of electron paramagnetic resonance (EPR), nuclear magnetic resonance (NMR), Raman, infrared (IR), and synchrotron or single-crystal X-ray diffraction measurements. This combined approach provided a detailed picture of the previously unknown electronic structure of the molecules in terms of two nearby states: a closed-shell diamagnetic state and a nearby biradical state, which is thermally populated.
Physical and Theoretical Chemistry; Electronic, Optical and Magnetic Materials; Surfaces, Coatings and Films; Energy (all)
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11311/1014080
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