On the origin of the Raman band shifts for H-bonded complexes of normal alcohols and 2-butoxyethanol with water: A theoretical DFT and MP2 study

Nurbosyn U. Zhanpeisov, Sakurako Takanashi, Shinji Kajimoto, Hiroshi Fukumura

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

The present theoretical study discusses the origin of the Raman band shifts appeared in the C-H stretching vibration region for complexes of normal alcohols with water as well as those of 2-butoxyethanol. It was shown that the nature of the red shift in the Raman active C-H stretching vibration modes initiated by a nanosecond temperature jump has a novel interpretation and bolster further the previously observed phenomenon for triethylamine-water complex.

Original languageEnglish
Pages (from-to)151-155
Number of pages5
JournalChemical Physics Letters
Volume491
Issue number4-6
DOIs
Publication statusPublished - 2010 May 17

ASJC Scopus subject areas

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

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