Double charge transfer spectroscopy of acetylene dication C2H22+ at vibrational resolution

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

doi:10.1016/s0009-2614(01)00636-4

Cited by 16 publications

(11 citation statements)

References 17 publications

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“…This value is in good agreement with previous measurements [15,16,63], as shown in Table VI + g states with the possibility of simultaneous vibrational excitation during the ionization. All of these states have quasi-bound potential wells (see Fig.…”

Section: +supporting

confidence: 93%

“…6, seem to have potential wells that may support a number of long-lived vibrational levels. Third, both Palaudoux and Furuhashi [15,55] have reported vibrational levels in similar dication states of acetylene, though the potential wells in the acetylene dication are about 1 eV deeper than in the ethylene dication.…”

Section: Summary: Ethylene Photo Double Ionizationmentioning

confidence: 95%

“…We expect PDI of these two species to be different because of their dissimilar geometries and electronic configurations. The double ionization of these molecules with photon and particle impact has been explored heavily in the past both in theory and experiment (ethylene [6][7][8] and acetylene [9][10][11][12][13][14][15][16]). Previous studies in ethylene include methods like double-charge-transfer spectroscopy [7,17,18], charge-stripping-mass spectroscopy [19,20], Auger spectroscopy [21,22], and time-of-flight mass spectrometry [23][24][25].…”

Section: Introductionmentioning

confidence: 99%

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Photo-double-ionization of ethylene and acetylene near threshold

Gaire¹,

Lee²,

Haxton³

et al. 2014

Phys. Rev. A

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We present kinematically complete measurements of the photo double ionization of ethylene (double CC bond) and acetylene (triple CC bond) hydrocarbons just above the double ionization threshold. We discuss the results in terms of the coincident kinetic energy of the photo electrons and the nuclear kinetic energy release of the recoiling ions. We have incorporated quantum chemistry calculations to interpret which of the electronic states of the dication have been populated and trace the various subsequent fragmentation channels. We suggest pathways that involve the electronic ground and excited states of the precursor ethylene dication and explore the strong influence of the conical intersections between the different electronic states. The nondissociative ionization yield is small in ethylene and high in acetylene when compared with the dissociative ionization channels.The reason for such a striking difference is explained in part on the basis of a propensity rule which influences the population of states in the photo double ionization of a centrosymmetric closed shell molecule by favoring singlet ungerade and triplet gerade final states. This propensity rule and the calculated potential energy surfaces clarify a picture of the dynamics leading to the observed dication dissociation products.

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Section: +supporting

confidence: 93%

Section: Summary: Ethylene Photo Double Ionizationmentioning

confidence: 95%

Section: Introductionmentioning

confidence: 99%

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Photo-double-ionization of ethylene and acetylene near threshold

Gaire¹,

Lee²,

Haxton³

et al. 2014

Phys. Rev. A

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“…(c) Calculated FC factors using one-dimensional potential curves. 25) Instrumental resolution of 130 meV is assumed.…”

Section: ῍4mentioning

confidence: 99%

Studies of Doubly Charged Molecular Ions Using High-Resolution Double Charge Transfer Spectrometer.

Furuhashi¹,

Kinugawa²,

Masuda³

et al. 2002

J. Mass Spectrom. Soc. Jpn.

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“…Experimentally, vibrationally resolved spectra of this dication were obtained by double charge transfer ͑DCT͒ technique using H + projectiles [6][7][8][9] and more recently after valence double photoionization of the neutral HCCH using the Threshold PhotoElectrons COincidence spectroscopy ͑TPEsCO͒ 5,10,11 and the time-of-flight PhotoElectron Photo-Electron COincidence ͑TOF-PEPECO͒ method. [10][11][12] Theoretically, previous treatments dealing with HCCH ++ focused mainly on the computation and the discussion of the unimolecular dissociation pathways undertaken by HCCH ++ and the intramolecular acetylene-vinylidene dication isomerization processes.…”

Section: Introductionmentioning

confidence: 99%

Theoretical spectroscopy of acetylene dication and its deuterated species

Palaudoux

Jutier

Hochlaf

2010

The Journal of Chemical Physics

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We mapped the six-dimensional potential energy surface of the electronic ground state of HCCH(++)(X (3)Sigma(g) (-)) dication using the coupled cluster approach. This potential energy surface is incorporated later into perturbative and full variational treatments to solve the nuclear motions. We derived a set of spectroscopic data for HCCH(++), HCCD(++), and DCCD(++). Our calculations reveal the presence of anharmonic resonances even at low energies, which complicates their assignment by vibrational quantum numbers. In light of our theoretical vibrational spectra, we propose an assignment of the experimental vibrationally resolved valence double ionization spectra of HCCH, HCCD, and DCCD. These spectra are viewed to be mostly composed by a pure vibrational progression involving the CC stretching mode together with a second progression involving both the CC stretching and the bendings.

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Double charge transfer spectroscopy of acetylene dication C2H22+ at vibrational resolution

Cited by 16 publications

References 17 publications

Photo-double-ionization of ethylene and acetylene near threshold

Photo-double-ionization of ethylene and acetylene near threshold

Studies of Doubly Charged Molecular Ions Using High-Resolution Double Charge Transfer Spectrometer.

Theoretical spectroscopy of acetylene dication and its deuterated species

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