Spectroscopic signatures of structural aufbau in (benzene)n; n=7-19

David C. Easter, Xiuling Li, Robert L. Whetten

Research output: Contribution to journalArticlepeer-review

Abstract

Optical spectra of larger (benzene)n clusters, n = 7-19, have been investigated in detail using the molecular B2u ←A 1g000 and 601 transitions. The clusters are formed in a helium jet and are detected mass selectively by two-color resonant two-photon ionization spectroscopy at moderate resolution. The association of spectral line shifts with distinct molecular sites leads to a simple picture of the building up of clusters of nonpolar molecules, as proposed earlier [Easter et al. Chem. Phys. Lett. 157, 277 (1989)]. Coarse band shapes and fingerprintlike fine structure are discussed in terms of the numbers and multiplicities of sites predicted by the icosahedral aufbau sequence, and yield a particularly clear correspondence around B 13, whose quasiicosahedral structure (as determined by minimum-energy simulations) forms the sequence's core. Distinctive multiplet structure observed in the center of the 601 band for n = 12-15 is attributed to exciton interactions among equivalent sites.

Original languageEnglish (US)
Pages (from-to)6362-6370
Number of pages9
JournalThe Journal of Chemical Physics
Volume95
Issue number9
DOIs
StatePublished - Jan 1 1991
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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