期刊
DALTON TRANSACTIONS
卷 50, 期 14, 页码 4778-4782出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/d1dt00709b
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资金
- University of Glasgow
- Scottish Funding Council for a Postgraduate and Early Career Researcher Exchange grant
The electronic structures of homovalent and mixed-valent vanadyl-based molecules are reported, showing that the combination of an eight-coordinate ligand shell with a fully delocalized ground state will nurture lengthy spin relaxation times.
The electronic structures of homovalent [V-2(mu-S-2)(2)(R(2)dtc)(4)] (R = Et, Bu-i) and mixed-valent [V-2(mu-S-2)(2)(R(2)dtc)(4)](+) are reported here. The soft-donor, eight-coordinate ligand shell combined with the fully delocalised ground state provides a highly rigid and covalent environment that will nurture long spin relaxation times in vanadyl-based molecular qubits.
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