期刊
CHEM
卷 6, 期 7, 页码 1777-1793出版社
CELL PRESS
DOI: 10.1016/j.chempr.2020.04.024
关键词
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资金
- Natural Science Foundation of China [21620102002, 21773130]
- Xi'an Municipal Bureau of Science and Technology [201805056ZD7CG40]
- Cyrus Chung Ying Tang Foundation
- State Key Laboratory for Mechanical Behavior of Materials
- Fundamental Research Funds for the Central Universities
- EPSRC (U.K.) [EP/P002560/1]
- University of Manchester
- China Scholarship Council
- UniversityofManchester
- Royal Society
- EPSRC [EP/P002560/1] Funding Source: UKRI
Design criteria for dysprosium(III) single-molecule magnets (SMMs) with large thermal energy barriers to magnetic reversal have been established and proven, and the challenge to enhance performance is in understanding and controlling electron-vibration coupling that is the origin of magnetic reversal. We have prepared an SMM, [Dy(L)(2)(PY)(5)][BPh4] 1 (HL = (S)-(-)-1-phenylethanol), based on the archetype [Dy((OBu)-Bu-t)(2)(py)(5)][BPh4] 2. Compounds 1 and 2 have similarly large energy barriers of U-eff = 1,130(20) cm(-1) and (J(eff) = 1,250(10) cm(-1), and yet 1 shows magnetic hysteresis at a far higher temperature of 22 K cf. T-H = 4 K for 2. Ab initio calculation of the electron-vibration coupling and spin dynamics shows that substitution of the alkoxide ligand in fact enhances relaxation over the energy barrier for 1 compared with 2, in agreement with experiment, and that the higher temperature of magnetic hysteresis likely owes to reduced quantum tunneling at low temperatures.
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