The reaction of (SO2)2 and (CO2)2 with Ba

Nieman, J.; Naaman, Ron

doi:10.1016/0301-0104(84)85336-7

Cited by 30 publications

(5 citation statements)

References 25 publications

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“…In Ref. 10 it was shown that due to changing of electron affinity the reaction of the dimer of CO 2 with Ba atoms was enhanced by an order of magnitude. In another case, a shift of the electronic states was observed when ozone was complexed with water.…”

Section: Introductionmentioning

confidence: 99%

Reactivity induced by complex formation: The reaction of O(3P) with HCl dimers

Hurwitz

Stern

Naaman

et al. 1997

The Journal of Chemical Physics

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Time-dependent quantum wave packet studies of the F+HCl and F+DCl reactionsThe reaction of O͑ 3 P͒ with HCl•M ͑MϭHCl, Ar͒ complexes has been studied. While the monomer HCl, in its ground vibrational state, reacts extremely slow with O͑ 3 P͒, it is shown here that the van der Waals complexes react with an efficiency of about 3 orders of magnitude larger than that of the monomer. The reactivity of DCl, on the other hand, is not enhanced by the complex formation. Molecular dynamics simulation indicates that the collision complex lifetime increases by several orders of magnitude due to the existence of the ''third body'' in the cluster. A model for explaining the complex induced enhancement of reactivity is presented and is supported by ab initio calculations.

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Section: Introductionmentioning

confidence: 99%

Reactivity induced by complex formation: The reaction of O(3P) with HCl dimers

Hurwitz

Stern

Naaman

et al. 1997

The Journal of Chemical Physics

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“…[1][2][3] Reaction dynamics in VdW complexes and clusters has been extensively investigated earlier for different systems. [4][5][6][7][8][9][10][11][12] Many of the published studies deal with VdW complexes and clusters of ions. Such systems are interesting for detailed studies, because ions are important reactive intermediates in organic chemistry.…”

Section: Introductionmentioning

confidence: 99%

Photodissociation of (SO2⋯XH) Van der Waals complexes and clusters (XH = C2H2, C2H4, C2H6) excited at 32 040–32 090 cm−1 with formation of HSO2 and X

Makarov

Кочубей

Khmelinskii

2014

The Journal of Chemical Physics

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We studied photodecomposition dynamics of (SO2⋯XH) Van der Waals' (VdW) complexes and clusters in gas phase, with X = C2H, C2H3, and C2H5. SO2 was excited by frequency-doubled radiation of a tunable dye laser and resonance-enhanced multiphoton ionization was used to detect the C2H (m/z 25), C2H3 (m/z 27), and C2H5 (m/z 29) ions by time-of-flight mass spectroscopy. Spectra obtained at higher nozzle pressures (P0 > 2.5 atm) indicate formation of clusters. Detailed studies of the VdW complex structure were carried out by analyzing the rotational structure of the respective action spectra. We also performed ab initio theoretical analysis of structures of the VdW complexes and transitional states leading to photodecomposition. We find that the structure of the transition state is significantly different as compared to the equilibrium ground-state structure of the respective complex. The photodecomposition mechanism depends on the hydrocarbon molecule bound to SO2.

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“…Early work on these topics has been primarily concerned with the reactivity of various barium atom-small (n r 2) van der Waals cluster systems yielding BaO molecules, a large difference being observed between the reaction with monomeric NO 2 , SO 2 , or CO 2 and the corresponding dimer. 20,21 Further studies of the related Ba(N 2 O, CO 2 , or H 2 O) n systems on the large cluster (n Z 200) limit revealed that reaction product solvation by the cluster is a very important process, which totally quenches the fluorescence of otherwise chemiluminescent reaction products. 22,23 Related research on small hydrogen-bound clusters has been scarce and focused on the characterization of the solvation process in the Mg(NH 3 ) n and M(H 2 O) n (M = Mg and Ca) systems.…”

Section: Introductionmentioning

confidence: 99%

Unexpected size distribution of Ba(H2O)n clusters: why is the intensity of the Ba(H2O)1 cluster anomalously low?

Cabanillas-Vidosa

Rossa

Pino

et al. 2011

Phys. Chem. Chem. Phys.

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An experimental and theoretical study on the reactivity of neutral Ba atoms with water clusters has been conducted to unravel the origin of the irregular intensity pattern observed in one-photon ionization mass spectra of a Ba(H(2)O)(n)/BaOH(H(2)O)(n-1) (n = 1-4) cluster distribution, which was generated in a laser vaporization-supersonic expansion source. The most remarkable irregular feature is the finding for n = 1 of a lower intensity for the Ba(+)(H(2)O)(n) peak with respect to that of BaOH(+)(H(2)O)(n-1), which is opposite to the trend for n = 2-4. Rationalization of the data required consideration of a distinct behavior of ground-state and electronically excited state Ba atoms in inelastic and reactive Ba + (H(2)O)(n) encounters that can occur in the cluster source. Within this picture, the generation of Ba(H(2)O)(n) (n > 1) association products results from stabilizing collisions with atoms of the carrier gas, which are favored by intramolecular vibrational redistribution that operates on the corresponding collision intermediates prior to stabilization; the latter is unlikely to occur for Ba + (H(2)O) encounters. Overall, this interpretation is consistent with additional in-source laser excitation and quenching experiments, which aimed to explore qualitatively the effect of perturbing the Ba atom electronic state population distribution on the observed intensity pattern, as well as with the energetics of various possible reactions for the Ba + H(2)O system that derive from high level ab initio calculations.

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The reaction of (SO2)2 and (CO2)2 with Ba

Cited by 30 publications

References 25 publications

Reactivity induced by complex formation: The reaction of O(3P) with HCl dimers

Reactivity induced by complex formation: The reaction of O(3P) with HCl dimers

Photodissociation of (SO2⋯XH) Van der Waals complexes and clusters (XH = C2H2, C2H4, C2H6) excited at 32 040–32 090 cm−1 with formation of HSO2 and X

Unexpected size distribution of Ba(H2O)n clusters: why is the intensity of the Ba(H2O)1 cluster anomalously low?

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