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Multiple solvation configurations around phthalocyanine in helium droplets
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10.1063/1.1961532
/content/aip/journal/jcp/123/5/10.1063/1.1961532
http://aip.metastore.ingenta.com/content/aip/journal/jcp/123/5/10.1063/1.1961532

Figures

Image of FIG. 1.
FIG. 1.

Model for the dual-emission spectrum of phthalocyanine in helium droplets. [courtesy of R. Lehnig and A. Slenczka (Ref. 9)].

Image of FIG. 2.
FIG. 2.

(Color) Cut of the helium-phthalocyanine interaction potential along the global minimum at . The potential energy is shown in units of Kelvin.

Image of FIG. 3.
FIG. 3.

(Color) Helium density with respect to and for . Contours are shown only in the range of . There is a clear layering of the He density with respect to . For this cluster, there are two complete or nearly complete solvation shells, with some additional density in a third shell.

Image of FIG. 4.
FIG. 4.

(Color) Helium density profile for -phthalocyanine in the state. The profile on the left exhibits the commensurate structure and is shown for a cut along a plane parallel to the molecular plane at a distance of . The profile on the right is the incommensurate lattice structure and is shown for a cut along . Contours are shown in the range of .

Image of FIG. 5.
FIG. 5.

(Color) Helium density profile for -phthalocyanine in the state. The profile on the left exhibits the incommensurate lattice and is shown for a cut along a plane parallel to the molecular plane at a distance of . The profile on the right is the commensurate structure and is shown for a cut along . Contours are shown in the range of .

Tables

Generic image for table
Table I.

Interaction potential parameters for helium with phthalocyanine.

Generic image for table
Table II.

Energies and first-layer solvation configurations for -phthalocyanine in at .

Generic image for table
Table III.

Parameters for the interaction potential.

Generic image for table
Table IV.

Spectral shift and spectral splitting for -phthalocyanine.

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/content/aip/journal/jcp/123/5/10.1063/1.1961532
2005-08-08
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Multiple solvation configurations around phthalocyanine in helium droplets
http://aip.metastore.ingenta.com/content/aip/journal/jcp/123/5/10.1063/1.1961532
10.1063/1.1961532
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