RT Journal Article
T1 Normal & reversed spin mobility in a diradical by electron-vibration coupling
A1 Shen, Yi
A1 Xue, Guodong
A1 Dai, Yasi
A1 Moles Quintero, Sergio
A1 Chen, Hanjiao
A1 Wang, Dongsheng
A1 Miao, Fang
A1 Negri, Fabrizia
A1 Zheng, Yonghao
A1 Casado-Cordón, Juan
K1 Reactividad (Química)
K1 Radicales (Química)
AB π−conjugated radicals have great promise for use in organic spintronics, however, the mechanisms of spin relaxation and mobility related to radical structural flexibility remain unexplored. Here, we describe a dumbbell shape azobenzene diradical and correlate its solid-state flexibility with spin relaxation and mobility. We employ a combination of X-ray diffraction and Raman spectroscopy to determine the molecular changes with temperature. Heating leads to: i) a modulation of the spin distribution; and ii) a “normal” quinoidal → aromatic transformation at low temperatures driven by the intramolecular rotational vibrations of the azobenzene core and a “reversed” aromatic → quinoidal change at high temperatures activated by an azobenzene bicycle pedal motion amplified by anisotropic intermolecular interactions. Thermal excitation of these vibrational states modulates the diradical electronic and spin structures featuring vibronic coupling mechanisms that might be relevant for future design of high spin organic molecules with tunable magnetic properties for solid state spintronics.
PB Nature Research
YR 2021
FD 2021-10-19
LK https://hdl.handle.net/10630/36479
UL https://hdl.handle.net/10630/36479
LA eng
NO Shen, Y., Xue, G., Dai, Y. et al. Normal & reversed spin mobility in a diradical by electron-vibration coupling. Nat Commun 12, 6262 (2021). https://doi.org/10.1038/s41467-021-26368-8
NO The authors acknowledge financial support from the National Natural Science Foundation of China (61805034) and the Scientific Research Foundation of UESTC for Young Teachers (Y03019023601008007). We thank MINECO/FEDER of the Spanish Government (PGC2018-098533-B-I00), Junta de Andalucía (UMA18FEDERJA057) and Research Central Services (SCAI) of the University of Málaga. F.N. and Y.D. gratefully acknowledge the financial support from the University of Bologna (RFO) and computational resources from CINECA through an ISCRA (Italian Super Computing Resource Allocation) C project. Y.D. acknowledges MIUR for her Ph.D. fellowship.
DS RIUMA. Repositorio Institucional de la Universidad de Málaga
RD 22 ene 2026