Spectroscopy of calcium deposited on large argon clusters

Gaveau, M.‐A.; Briant, M.; Fournier, P.R.; Mestdagh, J. M.; Visticot, J. P.; Calvo, F.; Baudrand, S.; Spiegelman, Fernand

doi:10.1140/epjd/e2002-00201-5

Cited by 26 publications

(39 citation statements)

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“…This was interpreted as proof of the solid phase for such clusters. 66,67 In conclusion our work clearly shows that large rare gas and para-hydrogen clusters made of hundreds to thousands of atoms are solid and doping with PAH molecules results in surface-site occupation only.…”

Section: Assignment Of Lif Absorption Spectramentioning

confidence: 59%

Spectroscopy of 3, 4, 9, 10-perylenetetracarboxylic dianhydride (PTCDA) attached to rare gas samples: Clusters vs. bulk matrices. I. Absorption spectroscopy

Dvořák

Müller

Knoblauch

et al. 2012

The Journal of Chemical Physics

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The interaction between 3, 4, 9, 10-perylenetetracarboxylic dianhydride (PTCDA) and rare gas or para-hydrogen samples is studied by means of laser-induced fluorescence excitation spectroscopy. The comparison between spectra of PTCDA embedded in a neon matrix and spectra attached to large neon clusters shows that these large organic molecules reside on the surface of the clusters when doped by the pick-up technique. PTCDA molecules can adopt different conformations when attached to argon, neon, and para-hydrogen clusters which implies that the surface of such clusters has a well-defined structure without liquid or fluxional properties. Moreover, a precise analysis of the doping process of these clusters reveals that the mobility of large molecules on the cluster surface is quenched, preventing agglomeration and complex formation.

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Section: Assignment Of Lif Absorption Spectramentioning

confidence: 59%

Spectroscopy of 3, 4, 9, 10-perylenetetracarboxylic dianhydride (PTCDA) attached to rare gas samples: Clusters vs. bulk matrices. I. Absorption spectroscopy

Dvořák

Müller

Knoblauch

et al. 2012

The Journal of Chemical Physics

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“…[36] in an experiment where only Ca is present on the cluster. Clearly, the two spectra shown in Figure 4 are very different.…”

Section: Discussionmentioning

confidence: 99%

Transition State Spectroscopy of the Photoinduced Ca + CH₃F Reaction. 1. A Cluster Isolated Chemical Reaction Study

et al. 2005

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The "Cluster Isolated Chemical Reactions" technique is used to examine the dynamics of the photoinduced reaction producing electronically excited CaF when 1:1 Ca · CH 3 F complexes are deposited at the surface of large argon clusters. This technique ensures quantitatively that 1:1 complexes are actually at the origin of the observed signals. The reaction is monitored by observing the CaF chemiluminescence while scanning the photoexcitation laser. The resulting action spectrum contains information about the absorption bands of the complex, filtered by the dynamics of the reaction. The observations suggest a profound alteration of the calcium electronic structure and a control of the reaction by the CF stretch in CH 3 F.

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“…This definition has the advantage that it reduces to the usual interatomic distance for the true diatomic molecule CaAr. Furthermore, this choice does not suffer any problem in a MC framework, in spite of the discontinuities that definition (14) introduces in the Jacobian. In contrast, this would not be the case in a molecular dynamics simulation and an alternative better choice would be the distance between the chromophore and the center of mass (com) of the argon cluster:…”

Section: Free-energy Profiles For Ground-and Excited-statesmentioning

confidence: 99%

“…1 we have represented the effective potential energy curves (ground and excited states) of CaAr 13 at T = 30 K, computed using the local distance d between calcium and argon defined by Eq. (14). We have superimposed the (shifted) potential of mean force on the ground state effective surface.…”

Section: Applications To Ca@armentioning

confidence: 99%

Theoretical study of the finite-temperature spectroscopy in van der Waals clusters. III. Solvated chromophore as an effective diatomics

Calvo

Spiegelman

Mestdagh

2003

The Journal of Chemical Physics

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The absorption spectroscopy of calcium-doped argon clusters is described in terms of an effective diatomics molecule Ca-(Arn), in the framework of semiclassical vertical transitions. We show how, upon choosing a suitable reaction coordinate, the effective finite-temperature equilibrium properties can be obtained for the ground-and excited-surfaces from the potential of mean force (PMF). An extension of the recent multiple range random-walk method is used to calculate the PMF over continuous intervals of distances. The absorption spectra calculated using this single-coordinate description are found to be in good agreement with the spectra obtained from high-statistics Monte Carlo data, in various situations. For CaAr13, we compare the performances of two different choices of the reaction coordinate. For CaAr37, the method is seen to be accurate enough to distinguish between different low-energy structures. Finally, the idea of casting the initial many-body problem into a single degree of freedom problem is tested on the spectroscopy of calcium in bulk solid argon.

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Spectroscopy of calcium deposited on large argon clusters

Cited by 26 publications

References 0 publications

Spectroscopy of 3, 4, 9, 10-perylenetetracarboxylic dianhydride (PTCDA) attached to rare gas samples: Clusters vs. bulk matrices. I. Absorption spectroscopy

Spectroscopy of 3, 4, 9, 10-perylenetetracarboxylic dianhydride (PTCDA) attached to rare gas samples: Clusters vs. bulk matrices. I. Absorption spectroscopy

Transition State Spectroscopy of the Photoinduced Ca + CH₃F Reaction. 1. A Cluster Isolated Chemical Reaction Study

Theoretical study of the finite-temperature spectroscopy in van der Waals clusters. III. Solvated chromophore as an effective diatomics

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Spectroscopy of calcium deposited on large argon clusters

Cited by 26 publications

References 0 publications

Spectroscopy of 3, 4, 9, 10-perylenetetracarboxylic dianhydride (PTCDA) attached to rare gas samples: Clusters vs. bulk matrices. I. Absorption spectroscopy

Spectroscopy of 3, 4, 9, 10-perylenetetracarboxylic dianhydride (PTCDA) attached to rare gas samples: Clusters vs. bulk matrices. I. Absorption spectroscopy

Transition State Spectroscopy of the Photoinduced Ca + CH3F Reaction. 1. A Cluster Isolated Chemical Reaction Study

Theoretical study of the finite-temperature spectroscopy in van der Waals clusters. III. Solvated chromophore as an effective diatomics

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Transition State Spectroscopy of the Photoinduced Ca + CH₃F Reaction. 1. A Cluster Isolated Chemical Reaction Study