Slow photoelectron velocity-map imaging spectroscopy of C3O− and C3S−

Garand, Etienne; Yacovitch, Tara I.; Neumark, Daniel M.

doi:10.1063/1.3200927

Cited by 10 publications

(10 citation statements)

References 49 publications

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“…If the anion had a bent geometry, extensive bending progressions would be expected. 78 We thus conclude that the triplet ground states of the C 5 H À , C 7 H À and C 9 H À anions are linear, in accordance with our electronic structure calculations.…”

Section: Discussionsupporting

confidence: 88%

Slow photoelectron velocity-map imaging of the CnH− (n = 5–9) anions

et al. 2010

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High-resolution photoelectron spectra of the C n H À anions with n ¼ 5-9 are acquired with slow electron velocity-map imaging (SEVI). Spectral features are assigned with the help of electronic structure calculations and Franck-Condon simulations. Well-resolved transitions to the linear X 2 P and a˜4S À neutral states are observed for species with an odd number of carbon atoms. For C 6 H À and C 8 H À , transitions to the X 2 P neutral ground state and the low lying A ˜2S + excited state are observed. Precise electron affinities, term energies, fine structure splittings, and gas-phase vibrational frequencies are determined. The C 5 H À , C 7 H À and C 9 H À SEVI spectra are consistent with the anions having X 3 S À linear triplet ground states.

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Section: Discussionsupporting

confidence: 88%

Slow photoelectron velocity-map imaging of the CnH− (n = 5–9) anions

et al. 2010

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“…Thus, owing to the recommended values of bond lengths for the neutral 1 + ground state (Ohshima and Endo 1992), this center of mass is between the (C3) and (S) atoms, too close to the carbon. We notice that the rotational de-excitation sections are greater than the vibrational ones for low temperatures (T < 100 K), as in our case, and the first vibrational excitation energy for C 3 S is at ω = 151 cm −1 (Garand et al 2009). Figure 1 shows the geometries used to compute the C 3 S-He PES, where the two Jacobi coordinates R and θ were in use.…”

Section: Geometry and Methodsmentioning

confidence: 60%

Rotational de-excitation of tricarbon monosulfide (C3S) in collision with (He): potential energy surface and rates

Sahnoun¹,

Khalifa²,

Khadri³

et al. 2020

Astrophys Space Sci

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Despite that the tricarbon monosulfide (C3S) is among the first sulfur-containing carbon-chain molecules to be detected in the interstellar medium, no studies focused on the determination of its collisional rates. These rate coefficients are essential to estimate the abundance of C3S in the interstellar medium. Computations of the C3S($^{1}\Sigma^{+}$ Σ + 1 ) downward rate coefficients, induced by collision with He, are performed by averaging the integral cross sections at low temperature (below $25~\text{K}$ 25 K ). Calculations of the cross sections in the close-coupling quantum time independent formalism for $E_{c}\leq110~\text{cm}^{-1}$ E c ≤ 110 cm − 1 and $J\leq10$ J ≤ 10 are based on a new 2-D potential energy surface. This PES is obtained from the explicit correlated coupled cluster with a single, double and perturbative triple excitation [ccsd(t)-f12] ab initio approach and the aug-cc-pVTZ basis sets. The PES have a global minimum of $-55.69~\text{cm}^{-1}$ − 55.69 cm − 1 located at $R=6.25$ R = 6.25 bohr and $\theta=94^{\circ}$ θ = 94 ∘ , and a second minimum of $-36.95~\text{cm}^{-1}$ − 36.95 cm − 1 at $R=9.35$ R = 9.35 bohr and $\theta=0^{\circ}$ θ = 0 ∘ . A comparison of C3S rates with those of the isoelectronic molecule C3O was made. The results indicate a great temperature dependence of the rates for transitions of $\Delta J>2$ Δ J > 2 . We expect that the new collisional data will allow for accurate determination of the C3S abundance in several interstellar regions.

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“…21,22 Vala group investigated C n S (n = 1-6) and C n S 2 (n = 1-5, 7, 9, 11, 13, 15) clusters using Fourier transform infrared absorption spectroscopy in the Ar matrix. 23,24 Neumark and coworkers investigated the photoelectron spectra of C 2 S À and C 3 S À using slow photoelectron velocity-map imaging spectroscopy (SEVI) and obtained the gas phase vibrational frequencies and electron affinities of C 2 S and C 3 S. 25,26 The doping of carbon clusters with sulfur atom(s) has received much attention also because the addition of sulfur atom(s) could improve the stabilization of the carbon chain. As we all know, the stable structures of the pure C n clusters are changing from linear with n r 9 to ring with n Z 10, to cage structure with a larger size.…”

Section: Introductionmentioning

confidence: 99%

Photoelectron spectroscopy and density functional calculations of C_nS_m⁻ (n = 2–7; m = 1, 2) clusters

Deng

et al. 2015

Phys. Chem. Chem. Phys.

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CnSm(-) (n = 2-7; m = 1, 2) clusters were investigated by using photoelectron spectroscopy combined with density functional theory calculations. We found that the vertical detachment energies of both CnS(-) and CnS2(-) (n = 2-7) clusters exhibit a strong odd-even alternation with an increasing number of carbon atoms: the VDEs of even-n clusters are higher than those of adjacent odd-n clusters. The most stable structures of the anionic and neutral CnS (n = 2-7) clusters are linear with the S atom locating at one end of the carbon chain except that the structure of C3S(-) is slightly bent. The ground state isomers of the anionic and neutral CnS2 (n = 2-7) clusters are all linear structures with two S atoms locating at two ends of the carbon chain. The electron affinities of the neutral CnS (n = 2, 4-7) and CnS2 (n = 2-7) clusters are determined based on the experimental adiabatic detachment energies of the corresponding anion species, because the most stable structures of the neutral clusters are similar to those of the corresponding anions.

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Slow photoelectron velocity-map imaging spectroscopy of C3O− and C3S−

Cited by 10 publications

References 49 publications

Slow photoelectron velocity-map imaging of the CnH− (n = 5–9) anions

Slow photoelectron velocity-map imaging of the CnH− (n = 5–9) anions

Rotational de-excitation of tricarbon monosulfide (C3S) in collision with (He): potential energy surface and rates

Photoelectron spectroscopy and density functional calculations of C_nS_m⁻ (n = 2–7; m = 1, 2) clusters

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Slow photoelectron velocity-map imaging spectroscopy of C3O− and C3S−

Cited by 10 publications

References 49 publications

Slow photoelectron velocity-map imaging of the CnH− (n = 5–9) anions

Slow photoelectron velocity-map imaging of the CnH− (n = 5–9) anions

Rotational de-excitation of tricarbon monosulfide (C3S) in collision with (He): potential energy surface and rates

Photoelectron spectroscopy and density functional calculations of CnSm− (n = 2–7; m = 1, 2) clusters

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Photoelectron spectroscopy and density functional calculations of C_nS_m⁻ (n = 2–7; m = 1, 2) clusters