Photodetachment spectroscopy and resonant photoelectron imaging of cryogenically cooled 1-pyrenolate

Qian, Chen-Hui; Zhang, Yue-Rou; Yuan, Dao-Fu; Wang, Lai-Sheng

doi:10.1063/5.0043932

Title: Photodetachment spectroscopy and resonant photoelectron imaging of cryogenically cooled 1-pyrenolate

Journal Article · Sun Mar 07 00:00:00 EST 2021 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/5.0043932· OSTI ID:1775306

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Brown Univ., Providence, RI (United States). Dept. of Chemistry

We report an investigation of the 1-pyrenolate anion (PyO^-) and the 1-pyrenoxy radical (PyO) using photodetachment spectroscopy and resonant photoelectron imaging of cryogenically-cooled anions. The electron affinity of PyO is measured to be 2.4772(4) eV (19,980 ± 3 cm^-1) from high-resolution photoelectron spectroscopy. Photodetachment spectroscopy reveals a dipole-bound state (DBS) for PyO^- 280 cm-1 below the detachment threshold, as well as a broad and intense valence excited state (shape resonance) 1,077 cm-1 above the detachment threshold. The shape resonance with an excitation energy of 21,055 cm^-1 is due to excitation of an electron from the highest occupied molecular orbital of PyO^- to its lowest unoccupied molecular orbital in the continuum. Twenty-nine vibrational levels of the DBS are observed, including twenty-seven above-threshold vibrational levels (vibrational Feshbach resonances). Twenty-seven resonant photoelectron spectra are obtained by tuning the detachment laser to the vibrational Feshbach resonances, resulting in highly non-Franck-Condon photoelectron spectra and rich vibrational information. In total, the frequencies of twenty-one vibrational modes are obtained for the PyO radical by the combination of the photodetachment and resonant photoelectron spectroscopy, including thirteen out-of-plane bending modes.

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Research Organization:: Brown Univ., Providence, RI (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division; USDOE

Grant/Contract Number:: SC0018679

OSTI ID:: 1775306

Alternate ID(s):: OSTI ID: 1769215

Journal Information:: Journal of Chemical Physics, Vol. 154, Issue 9; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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