Time-Resolved Resonant Auger Scattering Clocks Distortion of a Molecule

Wang, Changhao; Gong, Maomao; Cheng, Yongjun; Kimberg, Victor; Liu, Xiao-Jing; Vendrell, Oriol; Ueda, Kiyoshi; Zhang, Song Bin

doi:10.1021/acs.jpclett.3c01347

Cited by 6 publications

(3 citation statements)

References 48 publications

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“…In particular, we have demonstrated the success of the protocol for a range of small to medium-sized molecules in previous work. ,, The low-cost efficiency of our implementation opens up the possibility of computationally simulating time-resolved Auger–Meitner spectra. Wang et al have recently proposed to trigger the O–H bond stretching in water molecules by monitoring resonant Auger-Meitner spectral features in distorted molecules . A similar methodology has been employed by Tenorio et al to track the spectral signatures of distorted molecular structures of core-excited ozone molecules using resonant Auger-Meitner spectra …”

Section: Introductionmentioning

confidence: 99%

Auger–Meitner and X-ray Absorption Spectra of Ethylene Cation: Insight into Conical Intersection Dynamics

Cabral Tenorio,

Pedersen,

Barbatti

et al. 2023

J. Phys. Chem. A

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We present a theoretical investigation of the near-edge X-ray absorption fine structure and the Auger−Meitner decay spectra of ethylene and its cation. Herein, we demonstrate that our method, coupled with the nuclear ensemble approach, successfully reproduces the natural bandwidth structure of the experimental resonant Auger−Meitner decay spectra of ethylene, which is not very well reproduced within the Franck−Condon approximation. Furthermore, we analyze the Auger−Meitner decay spectra of the ethylene cation in light of minimum energy conical intersection structures involving the two lowest cationic states (D 1 and D 0 ), providing valuable insights into the ultrafast D 1 /D 0 relaxation dynamics. Our results suggest that Auger−Meitner electron spectroscopy can help elucidate the mechanism behind the initial 20 fs of the relaxation dynamics.

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Section: Introductionmentioning

confidence: 99%

Auger–Meitner and X-ray Absorption Spectra of Ethylene Cation: Insight into Conical Intersection Dynamics

Cabral Tenorio,

Pedersen,

Barbatti

et al. 2023

J. Phys. Chem. A

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“…However, a trade-off arises as pulse duration decreases, leading to an increase in pulse bandwidth. This expanded bandwidth introduces intricacies into laser-matter interactions, giving rise to phenomena such as wavepacket formation and unconventional spectroscopic structures [18][19][20]. When exploring coherent wavepackets through photoionization with ultrashort pulses, photoelectron spectroscopy unveils additional structures carrying information about the coherent wavepacket itself [21].…”

Section: Introductionmentioning

confidence: 99%

Unraveling photodissociation dynamics by sub-femtosecond ultraviolet pulses: insights into fragmental kinetics and carrier-envelope phase characterization

Xia Dong,

Gong,

Zhao

et al. 2024

New J. Phys.

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The duration of laser pulses and the carrier-envelope phase (CEP) play a crucial role in shaping kinetic energy release (KER) spectra. In this study, we performed theoretical calculations on pulse duration-dependent KER spectra, ranging from hundreds to sub-femtoseconds, focusing on the $\rm{MgH^+}$ scenario. Our findings reveal a distinct shift in KER peaks from sub-cycle pulses, deviating from the resonance energy. Utilizing two-level perturbation theory, we identify that this shift is attributable to the energy-dependent transition matrix elements. Moreover, our investigation uncovers a notable CEP effect in KER from sub-cycle pulses, arising from interference between counter-rotating and rotating terms within a single ultraviolet (UV) photon transition. To leverage this insight, we propose a novel pump-probe methodology for precise CEP characterization of ultra-short laser pulses. We hope this method would promise advancements in understanding and manipulating ultrafast processes.

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“…Consequently, the applicability of photoelectron spectroscopy is significantly limited. [24,25] It is worth noting that when combined with an infrared (IR) pump pulse, attosecond photoelectron spectroscopy has been developed into new techniques, such as attosecond streak cameras and RABBITT (reconstruction of attosecond beating by interference of two-photon transitions), allowing for imaging of IR pulse envelope and measurement of photoemission time delay. [5,26,27] To better understand limitations of XPS with ultrashort pulses, it is important to consider the combined effects of the broadband pulse and the photoionization cross section.…”

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confidence: 99%

Resonant Auger Scattering by Attosecond X-Ray Pulses

Nan,

Wang,

et al. 2023

Chinese Phys. Lett.

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As X-ray probe pulses approach the subfemtosecond range, conventional X-ray photoelectron spectroscopy (XPS) is expected to experience a reduction in spectral resolution due to the broadening effects of the pulse. However, in the case of resonant X-ray photoemission, also known as resonant Auger scattering (RAS), the spectroscopic technique maintains spectral resolution when an X-ray pulse is precisely tuned to a core-excited state. Theoretical simulations of XPS and RAS spectra were conducted on a showcased CO molecule using ultrashort X-ray pulses, revealing significantly enhanced resolution in the RAS spectra compared to XPS, even in the sub-femtosecond regime. These findings present a novel perspective on the potential utilization of attosecond X-ray pulses, capitalizing on the well-established advantages of detecting electron signals for tracking electronic and molecular dynamics.

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Time-Resolved Resonant Auger Scattering Clocks Distortion of a Molecule

Cited by 6 publications

References 48 publications

Auger–Meitner and X-ray Absorption Spectra of Ethylene Cation: Insight into Conical Intersection Dynamics

Auger–Meitner and X-ray Absorption Spectra of Ethylene Cation: Insight into Conical Intersection Dynamics

Unraveling photodissociation dynamics by sub-femtosecond ultraviolet pulses: insights into fragmental kinetics and carrier-envelope phase characterization

Resonant Auger Scattering by Attosecond X-Ray Pulses

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