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MD-simulation of site geometries and photoinduced site interconversion of diphenylacetylene (tolan) in an argon matrix

Molnar, Ferrenc and Dick, Bernhard (1995) MD-simulation of site geometries and photoinduced site interconversion of diphenylacetylene (tolan) in an argon matrix. Berichte der Bunsen-Gesellschaft 99 (3), pp. 422-428.

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Abstract

The absorption spectra of tolan in an Ar matrix indicate several matrix species (sites). Selective laser excitation of individual sites results in persistent spectral holes. The formation of Ar crystals with tolan impurities was simulated by statistical mol. dynamics calcns. A large no. of sites could be generated and classified as defect structures related to 4 ideal substitutional sites. ...

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Item type:Article
Date:1995
Additional Information (public):CAN 122:251889 74-1 Radiation Chemistry, Photochemistry, and Photographic and Other Reprographic Processes 501-65-5 (Diphenylacetylene); 7440-37-1 (Argon) Role: PEP (Physical, engineering or chemical process), PRP (Properties), PROC (Process) (MD-simulation of site geometries and photoinduced site interconversion of diphenylacetylene (tolan) in argon matrix)
Institutions:Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) > Prof. Dr. Bernhard Dick
Identification Number:
ValueType
1995:494343Other
Keywords:Conformation and Conformers; Spectra; Spectral hole burning (MD-simulation of site geometries and photoinduced site interconversion of diphenylacetylene (tolan) in argon matrix); Crystal lattice dynamics (photo-induced MD-simulation of site geometries and photoinduced site interconversion of diphenylacetylene (tolan) in argon matrix); Molecular rotation (internal, MD-simulation of site geometries and photoinduced site interconversion of diphenylacetylene (tolan) in argon matrix); tolan argon matrix photoinduced site interconversion; spectral hole burning tolan argon site
Dewey Decimal Classification:500 Science > 540 Chemistry & allied sciences
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:5567
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