formation controlled by vibrational motion in core-excited ammonia

Senba, Yasunori; Goya, Tsuyoshi; Yoshida, Hiroaki; Hiraya, Atsunari

doi:10.1016/j.elspec.2005.01.062

Cited by 7 publications

(7 citation statements)

References 17 publications

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“…[16][17][18], enabling us to probe the changes in the electronic structure of the respective molecular ions by performing a XAS-experiment. Whereas there is plenty of previous work on the neutral species of the series NH y , [19][20][21][22][23][24][25][26][27][28][29][30] little work on the cations NH y + ( y = 1-3) has been published. Theoretical work on the electronic structure of NH + 31,32 and NH 2 + 33 has been done calculating molecular potential curves and bonding angles.…”

Section: Introductionmentioning

confidence: 99%

Inner-shell X-ray absorption spectra of the cationic series NH_y⁺ (y = 0–3)

Bari

Inhester

Schubert

et al. 2019

Phys. Chem. Chem. Phys.

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Section: Introductionmentioning

confidence: 99%

Inner-shell X-ray absorption spectra of the cationic series NH_y⁺ (y = 0–3)

Bari

Inhester

Schubert

et al. 2019

Phys. Chem. Chem. Phys.

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“…spectroscopy have been realized detailed dynamics and electronic structure of ammonia [8,[12][13][14][15][16]. For instance, Schirmer et al discussed that the 4a 1 orbital to be nonbonding, with relatively small coupling constants for both totally symmetric vibrational modes [12].…”

mentioning

confidence: 99%

Chemical bond elongation following core-excitation of ammonia: resonant Auger spectra calculation

Takahashi¹,

Matsuyama²,

Tabayashi³

et al. 2009

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

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Theoretical resonant Auger decay spectra of ammonia with core-hole excited state dynamics simulation were investigated and some specific features of the experiment except for a vibrational structure were reproduced. A power spectral analysis with short-time maximum entropy method has been applied, and an obtained vibrational spacing assigned to NH stretching mode was 340 meV, which was consistent with the experiment of 390 ± 10 meV. Proton dynamics of ammonia on the first core-excited state was discussed. 1. Introduction Auger decay [1, 2] is one of the de-excitation processes in atoms and molecules after core-excitation. The processes are classified based on the excitation energy as "normal" or "resonant" Auger decay for autoionization of a state created through ionization of an inner-shell electron and through resonant excitation of an inner-shell electron to an unoccupied valence orbital. Depending on the potential energy surface of the excited state the molecule may undergo dynamics during the core-hole lifetime, which depends on the specific element and is in the range of femtoseconds for the second-row atoms. Even if the core-excited state is dissociative, the Auger decay transition in most cases takes place before a bond scission. For some special cases, however, the repulsive character of the potential energy surface in the core-excited state can induce bond scissions within the core-hole lifetime; this is usually referred to as ultra-fast dissociation. Ultra-fast dissociation upon resonant core-excitation into dissociative states has indeed been observed by several researchers through effects on the subsequent Auger decay [3-8] and X-ray emission [9-11]. The ammonia molecule is the simplest molecule including an N atom and has been studied for a long time experimentally and theoretically. It is also interested from a viewpoint of periodicity because HF, H 2 O, NH 3 , and CH 4 are isoelectronic with neon. Recent developments of soft X-ray

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“…Indeed, vibrational motion has previously been discussed for this core-excited state of ammonia. 21 In contrast, core-excitation using photon energies 4400.9 eV results in excitation to a steep unbound part of the PES. The scattering duration time is also significantly reduced at these detuned photon energies.…”

Section: Discussionmentioning

confidence: 99%

“…In that work, approximately B1% of cases involved dissociation before Auger decay in the molecule. 9 Meanwhile, Senba 21 and coworkers concluded that a symmetric stretching mode, n 1 , and a symmetric bending mode, n 2 , with periods on the same order of magnitude as the lifetime of the core-excited state are activated upon excitation of an N1s electron to the 4a 1 orbital. Their data also indicated that the population of stable NH 3 2+ states as a result of Auger decay from the N1s À1 4a 1 1 state was influenced by the vibrational state of the core-excited molecule.…”

Section: Introductionmentioning

confidence: 99%

Molecular dynamics of NH₃ induced by core-electron excitation

Walsh

Sankari

Laksman

et al. 2015

Phys. Chem. Chem. Phys.

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Nuclear motion in the N1s(-1)4a core-excited state of ammonia is investigated by studying the angular anisotropy of fragments produced in the decay of the highly excited molecule and compared with predictions from ab initio calculations. Two different fragmentation channels (H(+)/NH2(+) and H(+)/NH(+)/H) reveal complex nuclear dynamics as the excitation photon energy is tuned through the 4a1 resonance. The well-defined angular anisotropy of the fragments produced in the dissociation of the molecular dication species suggests a very rapid nuclear motion and the time scale of the nuclear dynamics is limited to the low fs timescale.

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formation controlled by vibrational motion in core-excited ammonia

Cited by 7 publications

References 17 publications

Inner-shell X-ray absorption spectra of the cationic series NH_y⁺ (y = 0–3)

Inner-shell X-ray absorption spectra of the cationic series NH_y⁺ (y = 0–3)

Chemical bond elongation following core-excitation of ammonia: resonant Auger spectra calculation

Molecular dynamics of NH₃ induced by core-electron excitation

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formation controlled by vibrational motion in core-excited ammonia

Cited by 7 publications

References 17 publications

Inner-shell X-ray absorption spectra of the cationic series NHy+ (y = 0–3)

Inner-shell X-ray absorption spectra of the cationic series NHy+ (y = 0–3)

Chemical bond elongation following core-excitation of ammonia: resonant Auger spectra calculation

Molecular dynamics of NH3 induced by core-electron excitation

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Inner-shell X-ray absorption spectra of the cationic series NH_y⁺ (y = 0–3)

Inner-shell X-ray absorption spectra of the cationic series NH_y⁺ (y = 0–3)

Molecular dynamics of NH₃ induced by core-electron excitation