Local surface structure probed by photodissociation in the system: quantal and classical simulations

Hintenender, M.; Rebentrost, F.; Kosloff, Ronnie; Gerber, R. Benny

doi:10.1016/0039-6028(95)00194-8

Cited by 6 publications

(2 citation statements)

References 14 publications

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“…This has been clearly demonstrated during the last 20 years of studying photodissociation at solid surfaces. [1][2][3][4] Comparable progress has been made for photodissociation in bulk liquids [5][6][7][8][9][10] and in clusters, [11][12][13][14] but the technology to carry out these experiments at liquid surfaces has only recently been developed.…”

Section: Introductionmentioning

confidence: 99%

“…In recent years, there have been a number of studies that clarify what the important factors are which influence photodissociation in bulk solid matrices, 31 in bulk liquids, 5 in clusters, 11 and at solid surfaces. 4 We expect that some of these factors, once properly modified, will be relevant to photodissociation at liquid surfaces. We also expect that additional unique interfacial factors may influence photodissociation at liquid surfaces.…”

Section: Introductionmentioning

confidence: 99%

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Photodissociation of ICN at the liquid/vapor interface of chloroform

Vieceli

Chorny

Benjamin

2001

The Journal of Chemical Physics

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The photodissociation of ICN initially adsorbed at the liquid/vapor interface of chloroform is studied using classical molecular dynamics computer simulations. The photodissociation and subsequent geminate recombination on the ground state of ICN is compared with the same reaction in the bulk liquid. We find that the probability for cage escape at the interface is significantly enhanced due to the possibility that one or both of the photodissociation fragments desorb into the gas phase. The desorption probability is sensitive to the initial location and orientation of the ICN. An examination of the energy disposal into these fragments provides additional information about the competition between geminate recombination and cage escape at the interface.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Photodissociation of ICN at the liquid/vapor interface of chloroform

Vieceli

Chorny

Benjamin

2001

The Journal of Chemical Physics

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3.9.12 RuO2 - 3.9.18 Tables of selected adsorbate properties

Freund¹,

Kuhlenbeck²

Adsorbed Layers on Surfaces. Part 5: Adsorption of Molecules on Metal, Semiconductor and Oxide Surfaces

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Photodissociation of ICN at the liquid/vapor interface of water

Winter

Benjamin

2004

The Journal of Chemical Physics

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The photodissociation of ICN adsorbed at the liquid/vapor interface of water is studied using classical molecular dynamics with nonadiabatic surface hopping. The cage escape, geminate recombination to form ICN and INC and the subsequent vibrational relaxation of these two molecules (on their ground electronic states) is compared with the same process in bulk water and with previous photodissociation studies at liquid interfaces. We find that the reduced surface density and weaker solvent-solute interactions give rise to reduced rate of nonadiabatic transitions and that the probability for cage escape at the interface is significantly enhanced due to the possibility that one or both of the photodissociation fragments desorb into the gas phase. The overall desorption probability varies from 75% to 92% for ICN initially located just below the Gibbs surface (50% bulk density) to ICN located just above the Gibbs surface, respectively. The corresponding geminate recombination probabilities are 18% and 9%, respectively. The vibrational relaxation rate of the recombined ICN is slower than in the bulk by a factor of 2.3.

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Local surface structure probed by photodissociation in the system: quantal and classical simulations

Cited by 6 publications

References 14 publications

Photodissociation of ICN at the liquid/vapor interface of chloroform

Photodissociation of ICN at the liquid/vapor interface of chloroform

3.9.12 RuO2 - 3.9.18 Tables of selected adsorbate properties

Photodissociation of ICN at the liquid/vapor interface of water

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