Angular distributions in photodetachment from<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mi mathvariant="normal">−</mml:mi></mml:mrow></mml:msup></mml:mrow></mml:math>

Hanstorp, Dag; Bengtsson, Charlotte; Larson, D. J.

doi:10.1103/physreva.40.670

Cited by 102 publications

(72 citation statements)

References 31 publications

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“…Past studies fitting the Cooper−Zare central-potential formula to experimental β(ε) trends for anions have indicated cos δ 2,0 values of ∼0.90−0.95. 32,35 Our own past work has shown that the choice of cos δ 2,0 = 0.95 instead of 1 results in only minor changes in the mixed s−p model predictions. 9 In view of these findings and acknowledging that the phase shift exists but is small, we will set cos δ 2,0 = 0.95 throughout the analysis.…”

Section: Discussionmentioning

confidence: 94%

Aromatic Stabilization and Hybridization Trends in Photoelectron Imaging of Heterocyclic Radicals and Anions

et al. 2015

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We examine the photoelectron spectra and laboratory-frame angular distributions in the photodetachment of furanide (C4H3O(-)), thiophenide (C4H3S(-)), and thiazolide (C3H2NS(-)) and compare the results to the previously reported studies of pyridinide (C5H4N(-)) and oxazolide (C3H2NO(-)). Using the mixed s-p model for the angular distributions, the results are interpreted in terms of the effective fractional p character of the highest-occupied molecular orbitals of these heterocyclic anions, revealing trends related to the aromaticity. We conclude that aromatic stabilization across a series of systems may be tracked using the photoelectron angular distributions. In addition, we report an improved (higher-precision) electron affinity (EA) for the thiophenyl radical, EA((•)C4H3S) = 2.089(8) eV. The EA of thiazolyl falls within the 2.5(1) eV range, but it is not clear if this determination corresponds to the 2- or 5-cyclic species or the 2-ring-open isomer. These results are analyzed in conjunction with the properties of other heterocyclic radicals (pyridinyl, furanyl, and oxazolyl) and interpreted in terms of the C-H bond dissociation energies (BDEs) of the corresponding closed-shell molecules. The BDEs of all five-membered-ring heterocyclics studied fall within the 116-120 kcal/mol range, contrasting the lower BDE = 110.4(2.0) kcal/mol of the more aromatic six-membered-ring pyridine. The observed aromaticity trends are consistent with the findings derived from the anion photoelectron angular distributions.

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Section: Discussionmentioning

confidence: 94%

Aromatic Stabilization and Hybridization Trends in Photoelectron Imaging of Heterocyclic Radicals and Anions

et al. 2015

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“…This is a simplification of the result of an approach initially outlined by Bethe 5 for single-electron atoms, later generalized to multielectron atoms 6,7,43,69 and with the approximation that the relative partial ᐉЈ wave cross sections ͑ ᐉϮ1 ͒ obey the Wigner threshold behavior within a few eV of threshold, 65 so that ᐉ+1 / ᐉ−1 = A · E. The physical picture behind Eq. ͑2͒ is the interference of the two partial electron waves, which of course depends on the relative cross sections ͑carried through the A · E term͒ and their relative phase shift, ␦ ͑ᐉ+1͒−͑ᐉ−1͒ .…”

Section: Discussionmentioning

confidence: 99%

“…58,[63][64][65][66][67][68] In these cases, the change in ␤ can be explained through consideration of the dominant long range term in the potential, the centrifugal term. The free electron wave can be represented as a superposition of partial angular momentum waves for which we will use the symbol ᐉЈ ͑=ᐉ Ϯ 1͒ to allow distinction from the parent orbital angular momentum quantum number ᐉ.…”

Section: Discussionmentioning

confidence: 99%

“…In particular, the decrease in the value of A in the framework of the atomic model suggests a decrease in the "size" of the parent anion. 65 This indication needs to be reconciled with the fact that the spatial extent of the neutral ͑O 2 ͒ nuclear wave function increases with increasing vЈ.…”

Section: -5mentioning

confidence: 99%

“…The A coefficient represents a measure of anion size. 65 The "contradiction" arises from a lack of clarity in the meaning of size in the molecular picture we have outlined, where preferential detachment from larger R OO corresponds to smaller A. Rather than internuclear separation, size here refers to the spatial extent of the detachment orbital.…”

Section: -5mentioning

confidence: 99%

See 2 more Smart Citations

Vibronic coupling in the superoxide anion: The vibrational dependence of the photoelectron angular distribution

Duzor

Mbaiwa

Wei

et al. 2010

The Journal of Chemical Physics

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The ZCC model invokes vibrational channel specific "detachment orbitals" and attributes this behavior to coupling of the electronic and nuclear motion in the parent anion. The spatial extent of the model detachment orbital is dependent on the final state of O 2 : the higher the neutral vibrational excitation, the larger the electron binding energy. Although vibronic coupling is ignored in most theoretical treatments of PADs in the direct photodetachment of molecular anions, the present findings clearly show that it can be important. These results represent a benchmark data set for a relatively simple system, upon which to base rigorous tests of more sophisticated models.

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Photodetachment

Pegg

Hanstorp

2023

Springer Handbooks

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Angular distributions in photodetachment fromO−

Cited by 102 publications

References 31 publications

Aromatic Stabilization and Hybridization Trends in Photoelectron Imaging of Heterocyclic Radicals and Anions

Aromatic Stabilization and Hybridization Trends in Photoelectron Imaging of Heterocyclic Radicals and Anions

Vibronic coupling in the superoxide anion: The vibrational dependence of the photoelectron angular distribution

Photodetachment

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