The Danger of Relying on Database Spectra

Johannes Kiefer*

*Corresponding author for this work

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

With the availability of easy-to-use commercial instrumentation for infrared (IR) and Raman spectroscopy, the number of users is growing very fast. Even in labs in which no personnel with experience in spectroscopy is around, spectra can be recorded and analyzed. However, for an inexperienced person it is virtually impossible to check whether a spectrum is plausible. In this Note, it is demonstrated that even comparing an experimental spectrum with data from a database may lead to significant errors. The vibrational spectrum of dimethyl sulfoxide (DMSO) is presented as an example.

Original languageEnglish
Pages (from-to)1272-1276
Number of pages5
JournalApplied Spectroscopy
Volume72
Issue number8
Early online date30 May 2018
DOIs
Publication statusPublished - 1 Aug 2018

Keywords

  • Vibrational spectra
  • infrared
  • IR
  • Raman
  • webbook
  • solvents
  • dimethyl sulfoxide
  • DMSO
  • SHIFTING HYDROGEN-BONDS
  • SULFOXIDE SOLUTIONS FTIR
  • DIMETHYL-SULFOXIDE
  • CHAIN-LENGTH
  • SPECTROSCOPY
  • ACETONITRILE
  • WATER

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