Solid‐state continuous wave (cw) electronic paramagnetic resonance (EPR) spectroscopy is particularly suitable for metal complex analysis. Extracting magnetic parameters by simulation is often necessary to describe the electronic structure of the studied molecular compounds that can have various electronic spin states and characterized by different parameters like g‐values, hyperfine coupling or zero field splitting values. Easyspin toolbox on MATLAB is a powerful tool, but for the user, it requires spending time with coding and could discourage nonexperts. Facing this context, we have developed a graphical user interface called Simultispin, dedicated to solid‐state cw‐EPR spectra simulation. Some examples of experimental spectra of metal complexes (mixture of low spin and high spin FeIII complexes, dynamic disorder of a CuII complex, photogeneration of a MnIII complex), highlighting specific solid‐state functions, are described and analyzed based on simulations performed with Simultispin. We hope that its ergonomy and the ease to set up a complete set of parameters to get reliable simulations could help a large EPR community to improve the efficiency of their interpretations.

中文翻译：

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Simultispin：用于模拟固态连续波 EPR 光谱的多功能图形用户界面

固态连续波 (cw) 电子顺磁共振 (EPR) 光谱特别适用于金属配合物分析。通常需要通过模拟提取磁参数来描述所研究的分子化合物的电子结构，这些化合物可以具有各种电子自旋态，并具有不同的参数，如 g 值、超精细耦合或零场分裂值。MATLAB 上的 Easyspin 工具箱是一个强大的工具，但对于用户来说，它需要花时间进行编码，并且可能会阻止非专家。面对这种情况，我们开发了一个名为 Simultispin 的图形用户界面，专用于固态 cw-EPR 光谱模拟。金属配合物实验光谱的一些例子（低自旋和高自旋 FeIII 配合物的混合物，CuII 配合物的动态无序，MnIII 复合物的光生成），突出了特定的固态功能，基于使用 Simultispin 进行的模拟进行了描述和分析。我们希望它的人体工程学和设置完整参数集以获得可靠模拟的简便性可以帮助大型 EPR 社区提高他们的解释效率。