Determining the stereo configuration of carbonyl sulfide dimers using Coulomb-explosion imaging

Yu, Xitao; Zhao, Xiaoyan; Wang, Zhenzhen; Yang, Ying; Zhang, Xinyu; Ma, Pan; Li, Xiaokai; Wang, Cheng‐Ye; Xu, Xiang; Wang, Chuncheng; Zhang, Dongdong; Luo, Sizuo; Ding, Dajun

doi:10.1103/physreva.104.053104

Cited by 13 publications

(14 citation statements)

References 49 publications

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“…One of the techniques discussed in this context is time-resolved Coulomb explosion imaging (CEI). Originally developed for (static) structure determination of dilute molecular beam targets, − CEI has found quite a number of different applications in recent years including identification of molecular isomers; − imaging of nuclear wavepackets in diatomic and triatomic molecules; ,− and studies of fragmentation, dissociation, and isomerization reactions. − ,− However, with few exceptions, most CEI studies rely on the coincidence detection of no more than two or three ionic fragments. Detecting only two coincident ions necessarily limits the retrievable structural information to a single internuclear distance, while coincident detection of three ions can provide information about three variables, for example, two distances and one molecular angle, albeit with some limitations .…”

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confidence: 99%

Strong-Field-Induced Coulomb Explosion Imaging of Tribromomethane

Bhattacharyya

Borne

Ziaee

et al. 2022

J. Phys. Chem. Lett.

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The Coulomb explosion of tribromomethane (bromoform, CHBr 3 ) induced by 28 fs near-infrared laser pulses is investigated by three-dimensional coincidence ion momentum imaging. We focus on the fragmentation into three, four, and five ionic fragments measured in coincidence and present different ways of visualizing the three-dimensional momentum correlations. We show that the experimentally observed momentum correlations for 4-and 5fold coincidences are well reproduced by classical Coulomb explosion simulations and contain information about the structure of the parent molecule that could be used to differentiate structural isomers formed, for example, in a pump−probe experiment. Our results thus provide a clear path toward visualizing structural dynamics in polyatomic molecules by strong-fieldinduced Coulomb explosion imaging.

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confidence: 99%

Strong-Field-Induced Coulomb Explosion Imaging of Tribromomethane

Bhattacharyya

Borne

Ziaee

et al. 2022

J. Phys. Chem. Lett.

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“…We attempted to determine the transient geometrical structure based on TERCE. Initially, we assumed that the PES of the trication to be purely Coulomb repulsive 41,42 , and the reconstructed O-D bond length (R OD ) corresponding to the four components are listed in Table 2. Overall, the extracted values are approximately 20 pm larger than that of the equilibrium values of the neutral ground state (105 • -97 pm, θ Neq -R Neq ).…”

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confidence: 99%

Directly imaging excited states-resolved coherent nuclear motions of water with picometer-femtosecond precision

Wang

Wang²,

Hu³

et al. 2022

Preprint

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Real-time imaging of transient structure of the electronic excited state is fundamentally critical to understand and control ultrafast physics and chemistry. However, the coherent nuclear motion in a specific excited state is yet to be captured accurately. Here, snapshots of the vibrational wave-packets of the excited (A) and ground states (X) of D$\rm_{2}$O$^{+}$ were acquired simultaneously with sub-10 picometer and few-femtosecond spatiotemporal precision, using a novel approach based on electron recollision-assisted Coulomb explosion. We visualised large amplitude bending and stretching motions for the A state, which significantly increased $\rm \theta _{DOD}$ and R$\rm_{OD}$ by approximately 50$^\circ$ and 10 pm, respectively, within 8 fs after initial tunneling ionization. In contrast, for the X state, only the prominant stretching motion is initialised with a bond extension of 7 pm within 5 fs. Another higher excited state with an asymmetric folding structure is experimentally established, which can be efficiently populated via the excitation of electron recollision. We demonstrate the remarkable dynamical vibrational fingerprints of these excite states and pave the way towards to make a movie of excited state-resolved ultrafast molecular dynamics and light-induced chemical reaction.

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“…On the other hand, charge distribution of a system directly affects accuracy of structural imaging such as the Coulomb explosion (CE). [9][10][11][12][13] As a well-known technique, Coulomb explosion imaging (CEI) has proven to be powerful in determining structures of weakly bonded clusters, even in specific quantum states. [14][15][16] Recently, the structures for small molecules, atomic clusters, and molecular dimers have been obtained.…”

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confidence: 99%

“…[14][15][16] Recently, the structures for small molecules, atomic clusters, and molecular dimers have been obtained. [12][13][14][15][16][17][18][19][20][21][22][23][24][25] However, only the distance between charge centers 𝑅cc of fragments can be measured, suggesting that only the structures of atomic clusters can be determined accurately since the charge centers are the same as the mass centers. [14][15][16][17] In general, the charge center does not coincide with the mass center in a molecule, which makes it difficult to predict the structure of complex molecules and molecular clusters accurately.…”

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confidence: 99%

“…S1(a) in the Supplemental Materials, [32] and more details have been given in our previous publications. [11][12][13]33] The BzAr and Bz2 clusters are generated simultaneously in a supersonic expansion of benzene with argon as the carrier gas. The CE of different clusters is triggered by the laser field with the same parameters (800 nm, 35 fs, 6 × 10 14 W/cm 2 , ellipticity ∼0.95), and by impacted with electrons (64 eV).…”

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Measuring Charge Distribution of Molecular Cations by an Atomic Coulomb Probe Microscope

Yu¹,

Hu²,

Zhou³

et al. 2022

Chinese Phys. Lett.

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Imaging the charge distributions and structures of molecules and clusters will promote the understanding of the dynamics of the quantum system. Here, we report a method by using an Ar atom as a tip to probe the charge distributions of benzene (Bz) cations in gas phase. Remarkably, the measured charge distributions of Bz$^{+}$ ($\delta_{H} $ = 0.204, $\delta_{C} $ = -0.037) and Bz$ ^{2+}$ ($\delta_{H} $ = 0.248, $\delta_{C} $ = 0.0853) agree well with the calculated Mulliken distributions, and the structures of Bz$_{2}$ is reconstructed by using the measured charge distributions. The structures of two Bz$_{2}$ isomers (T-shaped and PD isomers) can be resolved from the measured inter-molecular potential V(R) between two Bz, and the structures of Bz dimer agree well with the theoretical predictions.

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Determining the stereo configuration of carbonyl sulfide dimers using Coulomb-explosion imaging

Cited by 13 publications

References 49 publications

Strong-Field-Induced Coulomb Explosion Imaging of Tribromomethane

Strong-Field-Induced Coulomb Explosion Imaging of Tribromomethane

Directly imaging excited states-resolved coherent nuclear motions of water with picometer-femtosecond precision

Measuring Charge Distribution of Molecular Cations by an Atomic Coulomb Probe Microscope

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