Research data supporting "Vibrationally Assisted Intersystem Crossing in Benchmark Thermally Activated Delayed Fluorescence Molecules"

Raw data for manuscript titled 'Vibrationally-assisted intersystem crossing in benchmark thermally activated delayed fluorescence molecules.'
Data includes absorption and photoluminescence spectra for 2CzPN and 4CzIPN (Fig1b_Abs_2CzPN, Fig1b_Abs_4CzIPN, Fig1b_PL_2CzPN, Fig1b_PL_4CzIPN); transient electron spin resonance spectra for 2CzPN and 4CzIPN (Fig2c_2CzPN_0p4us, Fig2d_4CzIPN_0p4us); probability distributions for zero-field splitting in 2CzPN and 4CzIPN (Fig3a_2CzPN_ZFS_probability_distribution, Fig3b_4CzIPN_ZFS_probability_distribution); plots of zero-field splitting as a function of overlap index in 2CzPN and 4CzIPN (Fig3c_2CzPN_ZFS_overlap_idx, Fig3d_4CzIPN_ZFS_overlap_idx); and density plots (field versus time) of transient electron spin resonance spectra of 2CzPN and 4CzIPN (FigS1_TrESR_2CzPN_420nm_exc, FigS1_TrESR_4CzIPN_460nm_exc).

本数据集收录了题为《基准热激活延迟荧光分子中的振动辅助跨系间跃迁》的稿件原始数据，包括2CzPN和4CzIPN的吸收和光致发光光谱（图1b_Abs_2CzPN、图1b_Abs_4CzIPN、图1b_PL_2CzPN、图1b_PL_4CzIPN）；2CzPN和4CzIPN的瞬态电子自旋共振光谱（图2c_2CzPN_0p4us、图2d_4CzIPN_0p4us）；2CzPN和4CzIPN中零场分裂的概率分布（图3a_2CzPN_ZFS_probability_distribution、图3b_4CzIPN_ZFS_probability_distribution）；2CzPN和4CzIPN中零场分裂与重叠指数的关系图（图3c_2CzPN_ZFS_overlap_idx、图3d_4CzIPN_ZFS_overlap_idx）；以及2CzPN和4CzIPN瞬态电子自旋共振光谱的密度图（场强与时间的关系）（图S1_TrESR_2CzPN_420nm_exc、图S1_TrESR_4CzIPN_460nm_exc）。