Role of the Environment in Quenching the Production of 
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 from Dicationic Clusters of Methanol

Wang, Enliang; Ren, Xueguang; Dorn, Alexander

doi:10.1103/physrevlett.126.103402

Cited by 16 publications

(8 citation statements)

References 48 publications

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“…In the interstellar medium, trihydrogen is believed to form primarily by the

{normalH}_{2}^{+} + {normalH}_{2}

collisions 3 . Nevertheless, it has been ubiquitously identified as a surprising product of many types of organic molecule ionization processes, including electron impact, 25,26 fast‐ion bombardment, 27,28 multi‐photon double‐ionization (MPDI) by intense laser pulses, 29–37 as well as single photon double‐ionization (SPDI) 38–42 . In particular,

H_{3}^{+}

formation from the simplest alcohol (methanol) received special attention due to its abundance in a wide range of interstellar environments 43 …”

Section: Introductionmentioning

confidence: 99%

Two pathways and an isotope effect in H3+ formation following double ionization of methanol

et al. 2021

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The trihydrogen ion has a central role in creating complex molecules in the interstellar medium. Therefore, its formation and destruction mechanisms in high photon energy environments involving organic molecules are drawing significant experimental and theoretical attention. Here, we employ a combination of time‐resolved ultrafast extreme‐ultraviolet pump and near‐infrared probe spectroscopy applied to the deuterated CH3OD methanol molecule. Similar to other double‐ionization studies, the isotopic labeling reveals two competing pathways for forming trihydrogen: A) normalH3++COnormalH+ and B) normalH3++HCnormalO+. We validate our high‐level ab initio nonadiabatic molecular dynamic simulations by showing that it closely reproduces the essential features of the measured kinetic energy release distribution and branching ratios of the two pathways of the deuterated system. The success of ab initio simulation in describing single photon double‐ionization allows for an unprecedented peek into the formation pathways for the undeuterated species, beyond present experimental reach. For this case, we find that the kinetic energy release of pathway B shifts to lower energies by more than 0.6 eV due to a dynamical isotope effect. We also determine the mechanism for trihydrogen formation from excited states of the dication and elucidate the isotope effect's role in the observed dynamics.

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“…In the interstellar medium, trihydrogen is believed to form primarily by the

{normalH}_{2}^{+} + {normalH}_{2}

H_{3}^{+}

formation from the simplest alcohol (methanol) received special attention due to its abundance in a wide range of interstellar environments 43 …”

Section: Introductionmentioning

confidence: 99%

Two pathways and an isotope effect in H3+ formation following double ionization of methanol

et al. 2021

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“…This theoretical framework can also be extended to hybrid perovskite systems, where light-induced lattice expansion or contraction is a critical factor in enhancing photovoltaic efficiency. − Furthermore, through orbital-selective photoexcitation, we can effectively manipulate the occupancy of molecular bonding or antibonding orbitals. This capability facilitates molecular reactions in photocatalysis − and molecular associations on metal or semiconductor surfaces in photovoltaic systems. , …”

Section: Discussionmentioning

confidence: 99%

Inverse Design of Light Manipulating Structural Phase Transition in Solids

Liu

Wang

et al. 2023

J. Phys. Chem. Lett.

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“…The ultrafast bond breaking, vibration, conical intersection, as well as roaming, have been imaged on the femtosecond time scale, thus, the molecular movies are presented. [18][19][20][21][22][23]52,[87][88][89][90]110,111] Fig. 18.…”

Section: Tracing the Ultrafast Structural Evolution Of Moleculesmentioning

confidence: 99%

“…However, the study of ultrafast dynamics of the molecular clusters through UCEI is still very limited since the difficulty in both the experiments and theories. [111,120,121] In the molecular cluster, the reaction between molecules or the environmental effects becomes important. It suggests that tracking the ultrafast dynamics not only will promote our understanding of the dissociation or formation of clusters but also pave the way to control the reaction between molecules.…”

Section: Intensity (Arb Units)mentioning

confidence: 99%

Ultrafast Coulomb explosion imaging of molecules and molecular clusters

Li¹,

Yu²,

Ma³

et al. 2022

Chinese Phys. B

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Taking an image of their structure and a movie of their dynamics of small quantum systems have always been a dream of physicists and chemists. Laser-induced Coulomb explosion imaging (CEI) provides a great opportunity to make this dream a reality for small molecules or their aggregation - clusters. The method is unique for identifying the atomic locations with ångstrom spatial resolution and capturing the structural evolution with a femtosecond time scale, in particular for imaging transient state products. This review summaries the determination of three-dimensional equilibrium geometry of molecules and molecular cluster system through the reconstruction from the fragments momenta, and also shows that the dissociation dynamics on the complex potential energy surface can be tracked in real-time with the ultrafast CEI (UCEI). Furthermore, the detailed measurement and analysis procedures of the CEI, theoretical methods, exemplary results, and future perspectives of the technique are described.

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Role of the Environment in Quenching the Production of H3+ from Dicationic Clusters of Methanol

Cited by 16 publications

References 48 publications

Two pathways and an isotope effect in H3+ formation following double ionization of methanol

Two pathways and an isotope effect in H3+ formation following double ionization of methanol

Inverse Design of Light Manipulating Structural Phase Transition in Solids

Ultrafast Coulomb explosion imaging of molecules and molecular clusters

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