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Novel Advances in Pattern Recognition and Knowledge-Based Methods in Infrared Spectroscopy

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Computer-Enhanced Analytical Spectroscopy

Part of the book series: Modern Analytical Chemistry ((MOAC))

Abstract

Theoreticians can calculate exactly the frequencies at which infrared radiation will be absorbed by a given molecule, assuming the spatial arrangements of the atoms and the strengths of the bonds are known. This assumption is realistic for very small or highly symmetrical larger molecules. For those types of molecules, excellent theoretical treatments have been made. However, the vast majority of molecules have vibrational characteristics and interatomic interactions that are too complex for adequate theoretical treatment, so empirical treatment of the data becomes necessary.

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Authors and Affiliations

  1. Merck Sharp & Dohme Research Laboratories, Rahway, New Jersey, 07065, USA

    Hugh B. Woodruff

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  1. Hugh B. Woodruff
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Editors and Affiliations

  1. The University of Utah, Salt Lake City, Utah, USA

    Henk L. C. Meuzelaar

  2. Utah State University, Logan, Utah, USA

    Thomas L. Isenhour

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© 1987 Plenum Press, New York

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Woodruff, H.B. (1987). Novel Advances in Pattern Recognition and Knowledge-Based Methods in Infrared Spectroscopy. In: Meuzelaar, H.L.C., Isenhour, T.L. (eds) Computer-Enhanced Analytical Spectroscopy. Modern Analytical Chemistry. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-5368-3_10

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  • DOI: https://doi.org/10.1007/978-1-4684-5368-3_10

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4684-5370-6

  • Online ISBN: 978-1-4684-5368-3

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