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Volumn 136, Issue 13, 2012, Pages

Ground and low-lying excited states of propadienylidene (H 2C=C=C:) obtained by negative ion photoelectron spectroscopy

Author keywords

[No Author keywords available]

Indexed keywords

CAVITY RING-DOWN SPECTROSCOPY; COUPLED-CLUSTER CALCULATIONS; DIFFUSE INTERSTELLAR BANDS; ENERGY REGIONS; LOW-LYING EXCITED STATE; PROPADIENYLIDENE; SPECTRAL SIMULATIONS; SPECTROSCOPIC FEATURES; VIBRONIC COUPLING;

EID: 84861665775     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3696896     Document Type: Article
Times cited : (19)

References (93)
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    • e values obtained with the larger ANO1 basis in the penultimate row of Table.
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    • 2 distance playing the dominant role.
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    • 3) which would be between them-is easily explained by the geometry shifts that occur upon electron detachment from the anion (see Tables).
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    • 5 level.
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    • 1 state.
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    • 2 state, and its magnitude is actually quite similar to that obtained in the model Hamiltonian calculations.
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    • 6
    • 9 is the observed feature.
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    • The stick spectrum and convoluted spectral profile make the assumption that the photodetachment cross sections for the two states are equal. However, when the results of the model calculation for the photodetachment cross section discussed in Ref. are taken into account, agreement between the experiment and the spectral simulation improves.
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    • 2 level is heavily split by the vibronic interaction with its intensity spread out over a range of energy that takes away what would otherwise be a conspicuous peak.
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    • 1 state, so that one expects further augmentation to narrow the gayet more
    • -1, a magnitude that is broadly consistent with that applied to the Hamiltonian to best reproduce the experimental spectrum in this region.
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