Research data supporting "Impacts of Quinone Structure on Trade-Offs Between Redox Potential and CO2 Binding Strength"

Cyclic voltammetry results from various quinones in DMSO (5 mM) with 0.1 M tetrabutylammonium hexafluororphosphate supporting electrolyte purged with different mixes of N2 and CO2. Platinum wire counter electrode, glassy carbon working electrode, leak-free Ag/AgCl reference electrode. Ferrocene added in final cyclic voltammogram to be used as internal reference. QChem output files corresponding to geometry optimisation and frequency calculations. See FileExplanations.txt file for key to File naming/organisation.

本数据集收录了多种醌类化合物（quinones）在浓度为5 mM的二甲基亚砜（DMSO）体系中的循环伏安法（Cyclic voltammetry）测试结果：该体系添加0.1 M四丁基六氟磷酸铵（tetrabutylammonium hexafluorophosphate）作为支持电解质，并用不同比例的氮气（N2）与二氧化碳（CO2）混合气进行吹扫。测试采用铂丝对电极、玻碳工作电极与无泄漏型Ag/AgCl参比电极。所有最终循环伏安图均加入二茂铁（Ferrocene）作为内标。本数据集同时附带了对应几何优化（geometry optimisation）与频率计算（frequency calculations）的QChem输出文件。如需了解文件命名与组织规则，请参阅FileExplanations.txt文件。