National Synchrotron Radiation Research Center, 101 Hsin-Ann Road, Hsinchu Science Park, Hsinchu 30076, Taiwan.
National Synchrotron Radiation Research Center, 101 Hsin-Ann Road, Hsinchu Science Park, Hsinchu 30076, Taiwan; Department of Applied Chemistry, National Chiao Tung University, 1001, Ta-Hsueh Road, Hsinchu 30010, Taiwan.
Spectrochim Acta A Mol Biomol Spectrosc. 2021 May 5;252:119524. doi: 10.1016/j.saa.2021.119524. Epub 2021 Feb 2.
Hexafluorobenzene anions (HFB) and pentafluorophenyl radicals (PFP) were generated by the electron bombardment of a HFB/Ar sample during matrix deposition. Further irradiation of the matrix sample at 365 nm detached the electron from HFB and produced its neutral counterpart HFB in solid Ar. Secondary photolysis of the matrix sample at 160 nm destroyed HFB and generated HFB and PFP. In a separate experiment, the photolysis of the HFB/Ar matrix at 160 nm produced PFP, Dewar-CF, and various neutral fluorocarbon species, but without the production of HFB. The infrared (IR) lines of HFB and PFP were assigned on the basis of the observed photochemical behaviors, as well as by comparing the predictions of the vibrational wavenumbers with the corresponding IR intensities and the relative stabilities of the related species predicted via the B3LYP/aug-cc-pVTZ theory.
六氟苯阴离子 (HFB) 和五氟苯基自由基 (PFP) 是通过在基质沉积过程中电子轰击 HFB/Ar 样品产生的。进一步在 365nm 下对基质样品进行辐照，从 HFB 中除去电子，并在固体 Ar 中产生其中性对应物 HFB。在 160nm 下对基质样品进行二次光解，破坏 HFB 并生成 HFB 和 PFP。在另一个实验中，在 160nm 下对 HFB/Ar 基质的光解产生了 PFP、Dewar-CF 和各种中性氟碳物种，但没有产生 HFB。根据观察到的光化学行为以及通过比较预测的振动波数与相应的 IR 强度以及通过 B3LYP/aug-cc-pVTZ 理论预测的相关物种的相对稳定性，对 HFB 和 PFP 的红外 (IR) 谱线进行了分配。
