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Zusammenfassung
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. ...
Zusammenfassung
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. Trajectory calcns. following activation of the internal rotation of tolan showed that the mol. can relax to a different conformer accompanied by a rearrangement of the cage of host atoms. This corresponds to site-interconversion and gives a plausible photophys. mechanism for spectral hole-burning.
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