ZIB

Hits per page

hits 1 - 2 | 2 hits

Sorting

Electronic Resource

Spectroscopy of calcium deposited on large argon clusters (2002)

Gaveau, M.A. ; Briant, M. ; Fournier, P.R. ; [et al.]

Springer

The European physical journal 21 (2002), S. 153-161

add to mindlist on the mindlist

Details

ISSN: 1434-6079

Keywords: PACS. 36.40.-c Atomic and molecular clusters – 82.33.Hk Reactions on clusters

Source: Springer Online Journal Archives 1860-2000

Topics: Physics

Notes: Abstract: Spectroscopic experiments have been performed, providing emission and excitation spectra of calcium atoms trapped on argon clusters of average size 2 000. The two experimental spectra fall in the vicinity of the calcium resonance line 1P 1 → 1S0 at 422.9 nm. The excitation spectrum consists in two bands located on each side of the resonance line of the free calcium. In addition, Monte Carlo calculations, coupled to Diatomics-In-Molecule potentials are employed to simulate the absorption spectrum of a single calcium atom in the environment of a large argon cluster of average size 300. The theoretical absorption spectrum confirms the existence of two bands, and shows that these bands are characteristic of a calcium atom located at the surface of the argon cluster and correspond to the excited 4p orbital of calcium either perpendicular or parallel to the cluster surface. The precise comparison between the shape of the absorption spectrum and that of the fluorescence excitation spectrum shows different intensity ratios. This could suggest the existence of a non adiabatic energy transfer that quenches partly the fluorescence of trapped calcium. Another explanation, although less likely, could be a substantial dependence of the calcium oscillator strength according to the alignment of the calcium excited orbital with respect to the cluster surface. The emission spectrum always shows a band in the red of the resonance line which is assigned to the emission of calcium remaining trapped on the cluster. When exciting the blue band of the excitation spectrum, the emission spectrum shows a second, weak, component that is assigned to calcium atoms ejected from the argon clusters, indicating a competition between ejection and solvation.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1140/epjd/e2002-00201-5

Permalink

Library	Location	Call Number	Volume/Issue/Year	Availability

Others were also interested in ...

Paper (German National Licenses)

Fulltext

Electronic Resource

Orbital contributions to some two-electron properties (1980)

Largo-Cabrerizo, J. ; Calvo, F. M. Duque

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 18 (1980), S. 1465-1472

add to mindlist on the mindlist

Details

ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: Analytical formulas are given for the orbital contributions to two-electron properties such as 〈r12n〉, with n = -2, -1, 1, 2, 3, and 4, for atomic systems in which orbitals are expanded as linear combinations of Gaussian functions. Numerical values for all possible contributions in the atoms Li to Ne have been calculated at the Hartree-Fock level. These quantities are compared and discussed to show what kind of information can be obtained from such quantities. The influence of the basis set size has also been considered.

Additional Material: 3 Tab.