The oxidation and spin state of a metal–organic molecule determine its chemical reactivity and magnetic properties. Here, we demonstrate the reversible control of the oxidation and spin state in a single Fe porphyrin molecule in the force field of the tip of a scanning tunneling microscope. Within the regimes of half-integer and integer spin state, we can further track the evolution of the magnetocrystalline anisotropy. Our experimental results are corroborated by density functional theory and wave function theory. This combined analysis allows us to draw a complete picture of the molecular states over a large range of intramolecular deformations.

中文翻译：

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单分子结中的氧化和自旋态的控制

金属有机分子的氧化和自旋状态决定了其化学反应性和磁性。在这里，我们证明了在扫描隧道显微镜尖端力场中单个铁卟啉分子中氧化和自旋态的可逆控制。在半整数和整数自旋状态下，我们可以进一步跟踪磁晶各向异性的演化。密度泛函理论和波动函数理论证实了我们的实验结果。这种综合分析使我们能够绘制出大范围内分子内形变的分子状态的完整图谱。