Double charge transfer spectroscopy for N22+ and CO2+ at vibrational resolution

Furuhashi, O; Kinugawa, Tohru; Masuda, Suomi; Yamada, Chikashi; Ohtani, S.

doi:10.1016/s0009-2614(01)00173-7

Cited by 37 publications

(32 citation statements)

References 15 publications

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“…In comparison with other methods at vibrational resolution, this method has the following advantage: direct comparison between the experimental and theoretical spectrum may be possible by virtue of the apparent propensity rules underlying the DCT process, i.e., the spinconservation rule and the Franck-Condon (FC) principle. The validity of these propensity rules has been confirmed and the unique opportunity of DCT spectroscopy to study molecular dications has been demonstrated for N 2 2+ , CO 2+ [15], and NO 2+ [16].…”

Section: Introductionmentioning

confidence: 77%

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Double-charge-transfer spectroscopy ofO22+: Band analyses of low-lying repulsive states

et al. 2004

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The double-charge-transfer (DCT) spectrum of O 2 2+ has been recorded at 140 meV resolution using 1.5 keV H + projectiles. Electronic bands of the low-lying triplet states, namely A 3 ⌺ u + , W 3 ⌬ u , B 3 ⌸ g , and BЈ 3 ⌺ u − , have been resolved. Assuming that the observed bands directly reflect the Franck-Condon (FC) profiles, potentialenergy curves of the A 3 ⌺ u + , W 3 ⌬ u , and BЈ 3 ⌺ u − states within the FC region are determined based on the reflection approximation. For a quantitative check of the results, complete active space self-consistent-field and multireference configuration-interaction calculations have been performed to predict the potential-energy curves and the FC profiles. The calculated energy curves agree well with the experimentally derived ones. The theoretical FC profiles reproduced well the band shapes observed by both present DCT and previous Dopplerfree kinetic-energy release methods. However, our results cast doubt on the previous assignment of luminescence to the O 2 2+ B 3 ⌸ g → A 3 ⌺ u + transition and the observed bound level of the A 3 ⌺ u + state by the previous threshold photoelectron coincidence experiment.

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Section: Introductionmentioning

confidence: 77%

“…For comparison with the experimental band shapes, we have calculated the theoretical FC profiles using the wavepacket method [23], as in the case of N 2 2+ , CO 2+ [15], and NO 2+ [16]. This method has two major advantages.…”

Section: Theorymentioning

confidence: 99%

Double-charge-transfer spectroscopy ofO22+: Band analyses of low-lying repulsive states

et al. 2004

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“…By measuring the energies of both fragments, the centre-of-mass kinetic energy was eliminated by a simple calculation (done in real time for each pair of fragments), resulting in a Doppler-free spectrum with vibrational resolution. A vibrationally resolved spectrum of CO 2+ has also been obtained using double charge transfer spectroscopy by Furuhashi et al [21]. The principal difference between the techniques of Lundquist et al [20] and Furuhashi et al [21] is that Lundquist's spectrum shows dissociative states of both multiplicities, whereas Furuhashi's shows singlets only, whether they are dissociative or not.…”

Section: Vibrationally Resolved Spectramentioning

confidence: 99%

Photo double ionization spectra of CO: comparison of theory with experiment

Eland¹,

Hochlaf

King

et al. 2004

J. Phys. B: At. Mol. Opt. Phys.

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High level ab initio calculations have been undertaken of potential energy curves of CO 2+ (and for the CO neutral ground state). The accuracy of the potentials was tested by a synthesis of the available vibrationally resolved threshold photoelectrons in coincidence (TPEsCO) and time of flight, photo electron photo electron coincidence (TOF-PEPECO) spectra of CO 2+ . Good agreement was found between experimental and theoretical spectra once relative energies of the calculated double ionization energies were slightly adjusted (by approximately 1%) to match experiment. Vibrational separations within individual electronic states are very well reproduced (the worst error is 0.07%).

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“…(2a) [respectively (2b)] corresponds to the similar three-body dissociation of the dication (respectively trication) but from the dimer target ðN 2 Þ 2 . Fragmentation of the N 2 molecule has been extensively studied using electron impact [17,18], proton impact [19], ion impact [20], and photoionization [21,22]. The Dopplerfree kinetic energy release (KER) of the dissociating dication N 2þ 2 has been measured allowing the identification of the main populated states of the transient molecular ion [17].…”

mentioning

confidence: 99%