Terahertz spectroscopy of 7-azaindole clusters in solution

Anna M. Fedor, Timothy M. Korter

Research output: Contribution to journalArticle

18 Scopus citations

Abstract

The terahertz spectrum of 7-azaindole in solution has been obtained from 5 to 165 cm-1 and analyzed using density functional theory calculations. The experimental spectrum exhibits a strong absorption feature at 76 cm-1 that is attributed to an intermolecular vibration of self-associated 7-azaindole dimers. The calculations reveal that observed spectral features, which are unaccounted for in the 7-azaindole dimer normal mode analysis, may be attributed to a 7-azaindole hydrogen-bonded tetramer. This work presents the first quantum mechanical investigation of the structure and low-frequency vibrational motions of the 7-azaindole tetramer.

Original languageEnglish (US)
Pages (from-to)405-409
Number of pages5
JournalChemical Physics Letters
Volume429
Issue number4-6
DOIs
StatePublished - Oct 5 2006

ASJC Scopus subject areas

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

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