Dynamics of core-excited ammonia: disentangling fragmentation pathways by complementary spectroscopic methods

Travnikova, Oksana; Hosseini, F.; Marchenko, T.; Guillemin, R.; Ismail, Iyas; Moussaoui, Roba; Journel, L.; Milosavljević, Aleksandar R.; Bozek, John D.; Kukk, E.; Püttner, R.; Piancastelli, Maria Novella; Simon, M.

doi:10.1039/d2cp03488c

Phys. Chem. Chem. Phys.

2023

DOI: 10.1039/d2cp03488c

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Dynamics of core-excited ammonia: disentangling fragmentation pathways by complementary spectroscopic methods

Oksana Travnikova

F. Hosseini

T. Marchenko

et al.

Abstract: Fragmentation dynamics of core-excited isolated ammonia molecules is studied by two different and complementary experimental methods, high-resolution resonant Auger spectroscopy and electron energy-selected Auger electron-photoion coincidence spectroscopy (AEPICO). The combined...

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2024

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Resonant Auger decay of dissociating CH3I near the I 4d threshold

Pratt,

Jacovella,

Gans

et al. 2024

The Journal of Chemical Physics

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Resonant Auger processes provide a unique perspective on electronic interactions and excited vibrational and electronic states of molecular ions. Here, new data are presented on the resonant Auger decay of excited CH3I in the region just below the I 4d−1 ionization threshold. The resonances include the Rydberg series converging to the five spin–orbit and ligand-field split CH3I (I 4d−1) thresholds, as well as resonances corresponding to excitation from the I 4d5/2,3/2 orbitals into the σ* lowest unoccupied molecular orbital. This study focuses on participator decay that populates the lowest lying states of CH3I+, in particular, the X̃2E3/2 and 2E1/2 states, and on spectator decay that populates the lowest-lying (CH3I2+)σ* states of CH3I+. The CH3I (I 4d−1)σ* resonances are broad, and dissociation to CH3 + I competes with the autoionization of the core-excited states. Auger decay as the molecule dissociates produces a photoelectron spectrum with a long progression (up to v3+ ∼ 25) in the C–I stretching mode of the X̃2E3/2 and 2E1/2 states, providing insights into the shape of the dissociative core-excited surface. The observed spectator decay processes indicate that CH3I+ is formed on the repulsive wall of the lower-lying (CH3I2+)σ* potentials, and the photon-energy dependence of the processes provides insights into the relative slopes of the (4d−1)σ* and (CH3I2+)σ* potential surfaces. Data are also presented for the spectator decay of higher lying CH3I (I 4d−1)nl Rydberg resonances. Photoelectron angular distributions for the resonant Auger processes provide additional information that helps distinguish these processes from the direct ionization signal.

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Resonant Auger decay of dissociating CH3I near the I 4d threshold

Pratt,

Jacovella,

Gans

et al. 2024

The Journal of Chemical Physics

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Resonant Auger decay of iodobenzene below the I 4d edge

Pratt,

Jacovella,

Gans

et al. 2024

The Journal of Chemical Physics

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New data are presented on the resonant Auger decay of iodobenzene (C6H5I) in the region of the I 4d−1 ionization threshold. The excited molecules decay by participator and spectator processes to populate single-hole valence states and two-hole, one-particle excited states of the cation, providing new information on the structure of C6H5I+. Excitation of dissociative C6H5I (I 4d5/2,3/2−1)σ* resonances can, in principle, result in ultrafast dissociation to C6H5 + I** and the subsequent autoionization of I**, but no evidence for this process is observed. The results are compared with our recent study of the resonant Auger decay of methyl iodide (CH3I).

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Dynamics of core-excited ammonia: disentangling fragmentation pathways by complementary spectroscopic methods

Abstract: Fragmentation dynamics of core-excited isolated ammonia molecules is studied by two different and complementary experimental methods, high-resolution resonant Auger spectroscopy and electron energy-selected Auger electron-photoion coincidence spectroscopy (AEPICO). The combined...

Cited by 2 publications

References 40 publications

Resonant Auger decay of dissociating CH3I near the I 4d threshold

Resonant Auger decay of dissociating CH3I near the I 4d threshold

Resonant Auger decay of iodobenzene below the I 4d edge

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