Experimental Approach to the Study of Anharmonicity in the Infrared Spectrum of Pyrene from 14 to 723 K

Dataset for the article "Experimental Approach to the Study of Anharmonicity in the Infrared Spectrum of Pyrene from 14 to 723 K" (DOI: 10.1021/acs.jpca.8b11016 ) - Data folder: data for band positions, widths and integrated intensities, which were derived from the infrared spectra of pyrene embedded in KBr matrices at various temperatures [14-723]K. - Spectra folder: infrared spectra of pyrene embedded in KBr matrices at various temperatures [14-723]K. Subfolder Total_spec: full spectra in the [3200- 650]cm^-1 range. Subfolder region_spec: individual bands at positions given by the folder names in cm^-1.<br> In both cases, data at low (≤300 K) and high temperatures (≥300 K) are given in the low_temp and high_temp folders. All data is provided in .txt format.本数据集配套于论文《芘在14至723 K红外光谱中非简谐性研究的实验方法》（DOI: 10.1021/acs.jpca.8b11016）。 数据文件夹：该文件夹存储波段位置、谱线宽度与积分强度相关数据，所有数据源自14~723 K不同温度下嵌入溴化钾（KBr）基质中的芘的红外光谱。 光谱文件夹：该文件夹存储14~723 K不同温度下嵌入溴化钾基质中的芘的红外光谱。其子文件夹Total_spec存储[3200~650]cm⁻¹波数范围内的完整红外光谱；子文件夹region_spec存储以文件夹名称标注波数位置的单波段光谱。 上述两类数据中，低温（≤300 K）与高温（≥300 K）的数据分别存储于low_temp与high_temp子文件夹内。所有数据均以.txt格式提供。