A general model-based approach to two-dimensional infrared correlation spectroscopy incorporating the global phase angle

Shin Ichi Morita, Saratchandra Shanmukh, Yukihiro Ozaki, Richard A. Dluhy

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)

Abstract

We describe a theoretical framework for a model-based approach to twodimensional correlation spectroscopy that is generally applicable to any arbitrary model function. The method is based on the correlation between spectral data and a set of model waveforms with a varying correlation index, the global phase angle ⊖. When experimental spectral intensity variations are expressed as sinusoidal, exponential, Lorentzian, or quadratic functions, the proposed approach allows us to estimate the quantitative values of the target parameters in those expressions. In addition, this method enables us to assess the sequential order in a series of bands undergoing non-identical intensity changes in a dynamic data set. We present both simulated and experimentally obtained data that illustrate that the deviations from linearity of the absorption band intensity waveforms are clearly detected and can be quantitatively estimated using quadratic functions.

Original languageEnglish
Pages (from-to)1279-1284
Number of pages6
JournalApplied spectroscopy
Volume60
Issue number11
DOIs
Publication statusPublished - 2006 Nov
Externally publishedYes

Keywords

  • Correlation spectroscopy
  • Global phase angle
  • Quantitative model
  • Sequential order
  • Two-dimensional correlation infrared spectroscopy

ASJC Scopus subject areas

  • Instrumentation
  • Spectroscopy

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