ATR-FTIR, XRD, and TGA data for methylammonium iodide, methylammonium bromide, formamidinium iodide, and formamdinium bromide characterization

The data stored in this repository is used to confirm the structure of four organic halide salts using x-ray diffraction (XRD) and attenuated total reflectance Fourier transform infrared spectroscopy (FTIR) data (methylammonium iodide, methylammonium bromide, formamidinium iodide, and formamidinium bromide). Once their structures are confirmed, their vapor pressures are estimated from the thermogravimetric analysis (TGA) data. The rate of mass loss at several isothermal conditions can be used to evaluate the vapor pressure of each material. The single pass TGA data for each salt is used to confirm that no secondary mass loss events occur and that each sample evaporates uniformly. Each salt is found to evaporate in a single step, allowing the enthalpy and entropy of vaporization to be calculated and used to determine the vapor pressure from the Clausius-Clapeyron equation. The columns of the ATR-FTIR data represent wavelength in units of wavenumber and absorbance in arbitrary units.

本仓库存储的数据通过X射线衍射（X-ray diffraction, XRD）与衰减全反射傅里叶变换红外光谱（attenuated total reflectance Fourier transform infrared spectroscopy, FTIR）测试，用于确认四种有机卤化物盐的结构，这四种盐分别为碘化甲胺、溴化甲胺、碘化甲脒与溴化甲脒。在确认其结构后，研究人员将通过热重分析（thermogravimetric analysis, TGA）数据估算各盐的蒸气压。多种等温条件下的质量损失速率，可用于评估每种材料的蒸气压。每种盐的单次热重分析数据，用于确认无二次质量损失事件发生，且各样品均均匀蒸发。研究发现每种盐均以单一步骤蒸发，据此可计算其汽化焓与汽化熵，并结合克劳修斯-克拉佩龙方程（Clausius-Clapeyron equation）确定蒸气压。该ATR-FTIR数据的列分别对应以波数为单位的波长，以及以任意单位计量的吸光度。