Nonbulk convergence of solvent spectral shifts in doped molecular clusters

Xiuling Li, M. Y. Hahn, M. S. El-Shall, Robert L. Whetten

Research output: Contribution to journalArticle

Abstract

The spectral line of a dopant molecule B in a cluster B·An of solvent molecules A has usually been thought to converge to the bulk (gas-to-condensate) shift as n → ∞. Size-resolved electronic spectral measurements on a number of systems do appear to show a rapid and then asymptotic convergence, so that nearly all the shift is recovered by n = 30-50. We discuss here a set of examples - B·(N2)n, B·Arn, and Al·Arn (B = benzene) - in which far from bulk shifts are observed even though apparent asymptotes have been reached. Several models are proposed to explain this effect, and their liabilities are discussed.

Original languageEnglish (US)
Pages (from-to)8524-8528
Number of pages5
JournalJournal of physical chemistry
Volume95
Issue number22
DOIs
StatePublished - Jan 1 1991
Externally publishedYes

ASJC Scopus subject areas

  • Engineering(all)
  • Physical and Theoretical Chemistry

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