Karachousos-Spiliotakopoulos Konstantinos, Tangoulis Vassilis, Panagiotou Nikos, Tasiopoulos Anastasios, Moreno-Pineda Eufemio, Wernsdorfer Wolfgang, Schulze Michael, Botas Alexandre M P, Carlos Luis D
Department of Chemistry, Laboratory of Inorganic Chemistry, University of Patras, 26504, Patras, Greece.
Department of Chemistry, University of Cyprus, Nicosia 1678, Cyprus.
Dalton Trans. 2022 May 31;51(21):8208-8216. doi: 10.1039/d2dt00936f.
The 1 : 1 : 1 reaction of YbCl·6HO, K[Co(CN)] and bpyO in HO has provided access to a complex with formula [YbCo(CN)(bpyO)(HO)]·4HO (1) in a very good yield while its structure has been determined by single-crystal X-ray crystallography and characterised based on elemental analyses and IR spectra. Magnetic susceptibility studies showed the complex to be a field induced single molecule magnet, as confirmed by μ-SQUID measurements. CASSCF calculations confirm the existence of a = 7/2 ground state, with rather large transverse components, responsible for the fast relaxation characteristic of compound 1 at zero DC field, which is reduced upon application of DC fields. Moreover, a combination of luminescence studies along with CASSCF calculation allows the identification of the band structure of the complex, which is ultimately related to its electronic properties. Compound 1 operates as a luminescent thermometer in the 125-300 K range with a maximum relative thermal sensitivity of ≈0.1% K at 180 K.
YbCl₃·6H₂O、K[Co(CN)₆]和bpyO在水中以1 : 1 : 1的比例反应，以很高的产率得到了化学式为[YbCo(CN)₆(bpyO)(H₂O)]·4H₂O的配合物(1)，其结构已通过单晶X射线晶体学确定，并基于元素分析和红外光谱进行了表征。磁化率研究表明该配合物是一种场诱导单分子磁体，μ-SQUID测量证实了这一点。CASSCF计算证实存在S = 7/2基态，具有相当大的横向分量，这导致化合物1在零直流场下具有快速弛豫特性，施加直流场后该特性会降低。此外，发光研究与CASSCF计算相结合，可以确定该配合物的能带结构，这最终与其电子性质相关。化合物1在125 - 300 K范围内用作发光温度计，在180 K时最大相对热灵敏度约为0.1% K⁻¹。
