Solid-state \(^{207}\)Pb NMR spectroscopy was used to identify the pigments painted on the surface of a cultural heritage material. The \(^{207}\)Pb NMR magic-angle-spinning spectrum was measured under 18.8 T for the 1.0% lead-containing pigment sample of a historical clay doll. By comparing with the reference spectrum and NMR parameters, minium (Pb\(_3\)O\(_4\)) was determined to be used as a red pigment in the doll. Further, spectral simulation and relativistic density functional theory calculations were carried out for Pb\(_3\)O\(_4\) and related compounds. It was confirmed for the large chemical shift anisotropy of the Pb\(^\mathrm {II}\) species with the hemi-directed structure that the calculations with the minimum PbO\(_n\) moiety can generate incorrect values and that large size clusters are needed for improving accuracy even with the fully relativistic method.

固态\(^{207}\) Pb 核磁共振光谱用于识别涂在文化遗产材料表面的颜料。的\（^ {207} \）的Pb NMR魔角旋转谱下18.8 t处测量为一个历史粘土玩偶的1.0％含铅颜料样品。通过与参考光谱和核磁共振参数的比较，确定 minium (Pb \(_3\) O \(_4\) ) 被用作玩偶中的红色颜料。此外，对Pb \(_3\) O \(_4\)和相关化合物进行了光谱模拟和相对论密度泛函理论计算。证实了 Pb 的大化学位移各向异性\(^\mathrm {II}\)具有半定向结构的物种，使用最小 PbO \(_n\)部分的计算可能会产生不正确的值，并且即使使用完全相对论方法也需要大尺寸的簇来提高准确性。