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Photoelectron spectroscopy of deprotonated benzonitrile.
J Chem Phys
September 2024
School of Chemistry, Norwich Research Park, University of East Anglia, Norwich NR4 7TJ, United Kingdom.
The recent discovery of cyano-substituted aromatic and two-ring polycyclic aromatic hydrocarbon molecules in Taurus Molecular Cloud-1 has prompted questions on how the electronic structure and excited-state dynamics of these molecules are linked with their existence and abundance. Here, we report a photodetachment and frequency- and angle-resolved photoelectron spectroscopy study of jet-cooled para-deprotonated benzonitrile (p-[Bzn-H]-). The adiabatic detachment energy was determined as 1.
View Article and Find Full Text PDFObservation of bound valence excited electronic states of deprotonated 2-hydroxytriphenylene using photoelectron, photodetachment, and resonant two-photon detachment spectroscopy of cryogenically cooled anions.
J Chem Phys
May 2024
Department of Chemistry, Brown University, Providence, Rhode Island 02912, USA.
Polycyclic aromatic hydrocarbons (PAHs) are common atmospheric pollutants, and they are also ubiquitous in the interstellar medium. Here, we report the study of a complex O-containing PAH anion, the deprotonated 2-hydroxytriphenylene (2-OtPh-), using high-resolution photoelectron imaging and photodetachment spectroscopy of cryogenically cooled anions. Vibrationally resolved photoelectron spectra yield the electron affinity of the 2-OtPh radical as 2.
View Article and Find Full Text PDFElectron affinities and lowest triplet and singlet state properties of -oligophenylenes ( = 3-5): theory and experiment.
Phys Chem Chem Phys
November 2023
Institute of Physical Chemistry, Heinrich-Heine-University Düsseldorf, Universitätsstr. 1, 40225 Düsseldorf, Germany.
We apply photodetachment-photoelectron spectroscopy to measure the electron affinities and the energetics of the lowest excited electronic states of the neutral molecules -terphenyl (p3P), -quaterphenyl (p4P) and -quinquephenyl (p5P), including especially the triplet states below S. The interpretation of the experimental data is based on the comparison to calculated 0-0 energies and Dyson norms, using density functional theory and multireference configuration interaction methods, as well as Franck-Condon patterns. The comparison between calculated and experimental vibrational fine-structures reveals a twisted benzoid-like molecular structure of the S ground state and nearly planar quinoid-like nuclear arrangements in the S and T excited states as well as in the D anion ground state.
View Article and Find Full Text PDFMetal cluster plasmons analyzed by energy-resolved photoemission.
Phys Chem Chem Phys
January 2023
Institute of Physics, University of Rostock, 18059, Rostock, Germany.
The optical response of size-selected metal clusters is studied by wavelength-dependent photoemission and energy-resolved photoelectron detection. Relative photodetachment cross sections giving information on the plasmon are determined for the example of closed-shell Ag. Notably, the peak energy of this anion (3.
View Article and Find Full Text PDFElectron Binding Energy Spectra of AlPt Clusters─A Combined Experimental and Computational Study.
J Phys Chem A
July 2022
Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, Illinois 60349, United States.
Results of size-selected electron photo-detachment experiments and density functional theory calculations on anionic AlPt, = 1-7, clusters are presented and analyzed. The measured and calculated spectra of electron binding energies are, overall, in excellent accord with each other. The analysis reveals the general importance of accounting for the multiplicity of structural forms of a given-size cluster that can contribute to its measured spectrum, especially when the clusters are fluxional and/or the conditions of the experiment allow for structural transitions.
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