Abstract Why are xanthates widely used in sulfide minerals flotation but seldom used in oxidized ore? Herein, the principle of coordination chemistry is introduced to study the interactions of methyl xanthate with sulfide (pyrite, galena and sphalerite) and oxide minerals (hematite, cerussite and smithsonite) under weak acidic and neutral conditions. The findings show that xanthate can strongly combine with the low-spin Fe atom of the pyrite surface, and the adsorption on the galena and cerussite surfaces is attributed to the strong ionic polarization induced by the center deviations between their Pb and S atoms. However, the adsorption configurations on both the sphalerite and smithsonite surfaces are rather weak due to the highly stable Zn 3d orbital. Further analysis shows that the orbital symmetry of the methyl xanthate molecule matches well with the pyrite, galena and cerussite. Moreover, very strong hybridization occurs in the pyrite, galena and cerussite configurations, but is rarely observed in other configurations. In addition, a remarkable d-p back-bonding is found in the pyrite adsorption configuration.

中文翻译：

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黄药分子与不同矿物表面的相互作用：铁、铅、锌硫化物和氧化物矿物与配位化学的比较研究

摘要 为什么黄药在硫化矿浮选中应用广泛，而在氧化矿中却很少使用？在此，引入配位化学原理，研究了甲基黄药与硫化物（黄铁矿、方铅矿和闪锌矿）和氧化物矿物（赤铁矿、铜辉石和菱锌矿）在弱酸性和中性条件下的相互作用。研究结果表明，黄药可以与黄铁矿表面的低自旋 Fe 原子强烈结合，方铅矿和蜡矿表面的吸附归因于其 Pb 和 S 原子之间的中心偏差引起的强离子极化。然而，由于高度稳定的 Zn 3d 轨道，闪锌矿和菱锌矿表面上的吸附构型都相当弱。进一步的分析表明，甲基黄原酸盐分子的轨道对称性与黄铁矿、方铅矿和蜡矿相匹配。此外，在黄铁矿、方铅矿和蜡矿配置中发生了很强的杂交，但在其他配置中很少观察到。此外，在黄铁矿吸附配置中发现了显着的 dp 反键。