Terahertz gas-phase spectroscopy: chemometrics for security and medical applications

P. F. -X. Neumaier*, K. Schmalz, J. Borngraeber, R. Wylde, H. -W. Hubers

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

50 Citations (Scopus)


We describe a spectrometer consisting of a vector network analyzer, a gas absorption cell, and a quasioptical bench that acquires terahertz spectra of gaseous substances and mixtures. We tested volatile organic compounds that are medical biomarkers or chemicals which can be found on the US Environment Protection Agency list of harmful substances. Absorption spectra at gas pressures between 10 Pa and 5000 Pa were recorded. A subsequent multivariate data analysis demonstrated excellent qualitative and quantitative identification of pure substances and complex mixtures. The applied multivariate algorithms are principal components analysis, partial least square regression and soft independent modelling of class analogy.

Original languageEnglish
Pages (from-to)213-222
Number of pages10
Issue number1
Early online date7 Nov 2014
Publication statusPublished - 2015


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