Electronic spectroscopy of the A1̃2A′′/A2̃2A′−X̃2A′ transitions of jet-cooled calcium ethoxide radicals: Vibronic structure of alkaline earth monoalkoxide radicals of Cs symmetry

Anam C. Paul; Ketan Sharma; Hamzeh Telfah; Terry A. Miller; Jinjun Liu

doi:10.1063/5.0056550

Electronic spectroscopy of the A1̃2A′′/A2̃2A′−X̃2A′ transitions of jet-cooled calcium ethoxide radicals: Vibronic structure of alkaline earth monoalkoxide radicals of Cs symmetry

The Journal of Chemical Physics ◽

10.1063/5.0056550 ◽

2021 ◽

Vol 155 (2) ◽

pp. 024301

Author(s):

Anam C. Paul ◽

Ketan Sharma ◽

Hamzeh Telfah ◽

Terry A. Miller ◽

Jinjun Liu

Keyword(s):

Alkaline Earth ◽

Electronic Spectroscopy ◽

Vibronic Structure

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Vibronic structure of photosynthetic pigments probed by polarized two-dimensional electronic spectroscopy andab initiocalculations

Chemical Science ◽

10.1039/c9sc02329a ◽

2019 ◽

Vol 10 (35) ◽

pp. 8143-8153 ◽

Cited By ~ 10

Author(s):

Yin Song ◽

Alexander Schubert ◽

Elizabeth Maret ◽

Ryan K. Burdick ◽

Barry D. Dunietz ◽

...

Keyword(s):

Photosynthetic Pigments ◽

State Of The Art ◽

Electronic Spectroscopy ◽

Two Dimensional ◽

Vibronic Structure ◽

Tddft Calculations ◽

Photoexcited Dynamics

Using polarized 2D spectroscopy and state-of-the-art TDDFT calculations to uncover the vibronic structure of primary photosynthetic pigments and its effect on ultrafast photoexcited dynamics.

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Electronic spectroscopy of the alkaline-earth halide cluster Ca2Cl3

The Journal of Chemical Physics ◽

10.1063/1.1353547 ◽

2001 ◽

Vol 114 (20) ◽

pp. 8913-8925

Author(s):

Julio D. Lobo ◽

Andrei Deev ◽

Chi-Kin Wong ◽

James M. Spotts ◽

Mitchio Okumura

Keyword(s):

Alkaline Earth ◽

Electronic Spectroscopy ◽

Halide Cluster

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Isomer-specific vibronic structure of the 9-, 1-, and 2-anthracenyl radicals via slow photoelectron velocity-map imaging

Proceedings of the National Academy of Sciences ◽

10.1073/pnas.1520862113 ◽

2016 ◽

Vol 113 (7) ◽

pp. 1698-1705 ◽

Cited By ~ 29

Author(s):

Marissa L. Weichman ◽

Jessalyn A. DeVine ◽

Daniel S. Levine ◽

Jongjin B. Kim ◽

Daniel M. Neumark

Keyword(s):

Gas Phase ◽

Excited States ◽

Cross Sections ◽

Electronic Spectroscopy ◽

Spectroscopic Characterization ◽

Photoelectron Spectra ◽

Velocity Map Imaging ◽

Vibronic Structure ◽

Quantum Chemistry Calculations ◽

Franck Condon

Polycyclic aromatic hydrocarbons, in various charge and protonation states, are key compounds relevant to combustion chemistry and astrochemistry. Here, we probe the vibrational and electronic spectroscopy of gas-phase 9-, 1-, and 2-anthracenyl radicals (C14H9) by photodetachment of the corresponding cryogenically cooled anions via slow photoelectron velocity-map imaging (cryo-SEVI). The use of a newly designed velocity-map imaging lens in combination with ion cooling yields photoelectron spectra with <2 cm−1 resolution. Isomer selection of the anions is achieved using gas-phase synthesis techniques, resulting in observation and interpretation of detailed vibronic structure of the ground and lowest excited states for the three anthracenyl radical isomers. The ground-state bands yield electron affinities and vibrational frequencies for several Franck–Condon active modes of the 9-, 1-, and 2-anthracenyl radicals; term energies of the first excited states of these species are also measured. Spectra are interpreted through comparison with ab initio quantum chemistry calculations, Franck–Condon simulations, and calculations of threshold photodetachment cross sections and anisotropies. Experimental measures of the subtle differences in energetics and relative stabilities of these radical isomers are of interest from the perspective of fundamental physical organic chemistry and aid in understanding their behavior and reactivity in interstellar and combustion environments. Additionally, spectroscopic characterization of these species in the laboratory is essential for their potential identification in astrochemical data.

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