Evaluation of two- and three-coordinate copper (I) NHC complexes as photocatalysts (thesis data)
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https://research-portal.st-andrews.ac.uk/en/datasets/63a59e77-ea7a-452c-a168-e86083e02234
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资源简介:
The following file types and formats are included:
X-ray diffraction files: .res and .fcf files (proprietary format), .cif files (can be opened with Mercury) and .png or .tif files
Cyclic voltammetry and differential pulse voltammetry files: .ici and .icw files (proprietary format) and .ocw files (can be opened with a text editor) along with .xml files
UV-Vis spectroscopy files: .jws and .vbsl (proprietary format) and .txt (can be opened with a text editor)
Emission spectroscopy: .fl files (proprietary format), .txt files (can be opened with a text editor) and .opju files (can be opened using Origin)
1H, 13C and 19F NMR spectroscopy files: .mnova (proprietary format)
HRMS files: .pdf files (can be opened with a text editor)
DFT and TD-DFT files: .orbs (proprietary format), .fchk, .chk, .gjf, .log files (can be opened with a text editor), .xyz file, .csv files (can be opened in Microsoft Excel)
The data files are embargoed until 18/01/2026
本数据集包含以下文件类型与格式:
X射线衍射(X-ray diffraction)相关文件:.res与.fcf文件(专有格式)、.cif文件(可通过Mercury软件打开)以及.png或.tif格式文件
循环伏安法(Cyclic voltammetry)与差分脉冲伏安法(differential pulse voltammetry)相关文件:.ici与.icw文件(专有格式)、.ocw文件(可通过文本编辑器打开),同时包含.xml格式文件
紫外-可见吸收光谱(UV-Vis spectroscopy)相关文件:.jws与.vbsl文件(专有格式)以及.txt格式文件(可通过文本编辑器打开)
发射光谱(Emission spectroscopy)相关文件:.fl文件(专有格式)、.txt格式文件(可通过文本编辑器打开)以及.opju文件(可使用Origin软件打开)
1H、13C与19F核磁共振波谱(NMR spectroscopy)相关文件:.mnova文件(专有格式)
高分辨质谱(HRMS)相关文件:.pdf格式文件(可通过文本编辑器打开)
密度泛函理论(DFT)与含时密度泛函理论(TD-DFT)相关文件:.orbs文件(专有格式)、.fchk、.chk、.gjf、.log格式文件(可通过文本编辑器打开)、.xyz格式文件以及.csv格式文件(可在Microsoft Excel软件中打开)
本数据集相关文件将被限制访问,直至2026年1月18日。
提供机构:
University of St Andrews
创建时间:
2023-01-19



