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United States Department of Agriculture

Agricultural Research Service

Title: Advances in 2-D Correlation in Nir Spectroscopy

Author
item Himmelsbach, David

Submitted to: Eastern Analytical Symposium
Publication Type: Abstract Only
Publication Acceptance Date: September 26, 2002
Publication Date: November 1, 2002
Citation: HIMMELSBACH, D.S. ADVANCES IN 2-D CORRELATION IN NIR SPECTROSCOPY. EASTERN ANALYTICAL SYMPOSIUM. 2002. ABSTRACT NO. 182. P. 19.

Technical Abstract: Two-dimensional (2-D) vibrational correlation spectroscopy has now advanced to the stage of realizing many of its touted advantages. Those advantages primarily are: elucidation of chemical interactions of functional groups, simplification of complex spectra, enhancement of spectral resolution by spreading over the second dimension and establishing unambiguous assignments through cross-correlation. Three basic methods have been employed to attain these advantages : dynamical correlation, statistical correlation and canonical correlation analysis. The most popular of these has been dynamical correlation which requires a perturbation due to a some stimulus that results in time-dependent fluctuations of spectra. The advantages of 2-D correlation spectroscopy are most clearly revealed with near-infrared (NIR) spectroscopy for which is almost required in order to understand the interactions involved. This is due to the fact that no fundamental spectral responses occur in this region. The broad bands are due to overlapping combination and overtone bands of fundamental vibrations originating in the MIR region. Also, NIR bands often display anharmonic effects making band assignments extremely difficult. There have been an increased number applications of 2-D correlation to NIR spectroscopy. The results of some applications will be discussed, along with the future potential of this technique in NIR spectroscopy.

Last Modified: 9/29/2014
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