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首页> 外文期刊>Applied Magnetic Resonance >Interstitial Substitution of VO(II) in Hexaaquazinc(diaquabismalonato)zincate: A Rare Observation
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Interstitial Substitution of VO(II) in Hexaaquazinc(diaquabismalonato)zincate: A Rare Observation

机译：六水合锌（diaquabismalonato）锌酸盐中VO（II）的间隙置换：罕见观察

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摘要

Single-crystal electron paramagnetic resonance (EPR) studies of VO(II) doped in hexaaquazinc(diaquabismalonto)zincate have been performed at room temperature. Single-crystal rotations along the three orthogonal axes show the presence of a single site in an interstitial position and the location has been identified from crystal data of the host lattice. The spin-Hamiltonian parameters calculated from EPR spectra are g xx = 1.973, g yy = 1.972, g zz = 1.930, A xx = 7.05 mT, A yy = 6.85 mT, A zz = 18.93 mT. Molecular orbital coefficients β 2 = 0.71 and ε 2 = 0.62 have been calculated and reveal a moderately covalent metal–ligand bond. Optical and EPR data have been used to obtain crystal field parameters, admixture and molecular orbital coefficients.
机译：在室温下对六水合锌（双季戊二烯酮）锌酸盐中掺杂的VO（II）进行了单晶电子顺磁共振（EPR）研究。沿三个正交轴的单晶旋转显示在间隙位置中存在单个位置，并且已从主体晶格的晶体数据中确定了该位置。根据EPR光谱计算出的自旋哈密顿参数为g xx = 1.973，g yy = 1.972，g zz = 1.930，A xx = 7.05 mT，A yy = 6.85 mT，A zz = 18.93 mT。计算了分子轨道系数β 2 = 0.71和ε 2 = 0.62，它们揭示了中等价的金属-配体键。光学和EPR数据已用于获得晶体场参数，混合物和分子轨道系数。

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