Vibrational spectroscopy, theory

Keresztury G. Raman spectroscopy theory. In Chalmers JM, Griffiths PR, eds. Handbook of Vibrational Spectroscopy Theory and Instrumentation. London John Wiley Sons, 2002 71-87. 

Sathyanarayana, D.N., 1996, Vibrational Spectroscopy Theory and Applications (New Age Int. Publishers, New Delhi). 

J.M. Chalmers, P.R. Griffiths (Editors) "Handbook of Vibrational Spectroscopy. Theory and Instrumentation", John Wiley Sons Ltd., 2002... 

Sathyanarayana, D. N. Vibrational Spectroscopy Theory and Applications New Age International Delhi, India, 2007. 

Tang J and Albrecht A C 1970 Developments in the theories of vibrational Raman intensities Raman Spectroscopy Theory and Practice vol 2, ed H A Szymanski (New York Plenum) pp 33-68... 

Wilson, E. B. Jr, Decius, J. C. and Cross, P. C. (1980) Molecular Vibrations, Dover, New York. Woodward, L. A. (1972) Introduction to the Theory of Molecular Vibrations and Vibrational Spectroscopy, Oxford University Press, Oxford. 

Methane-to-methanol conversion by gas-phase transition metal oxide cations has been extensively studied by experiment and theory see reviews by Schroder, Schwarz, and co-workers [18, 23, 134, 135] and by Metz [25, 136]. We have used photofragment spectroscopy to study the electronic spectroscopy of FeO" " [47, 137], NiO [25], and PtO [68], as well as the electronic and vibrational spectroscopy of intermediates of the FeO - - CH4 reaction. [45, 136] We have also used photoionization of FeO to characterize low lying, low spin electronic states of FeO [39]. Our results on the iron-containing molecules are presented in this section. 

P.C. Painter, M.M. Coleman and J.L. Koenig, The Theory of Vibrational Spectroscopy and Its Application to Polymeric Materials, Wiley, New York, 1982. 

The frequencies of absorption bands present gives diagnostic information on the nature of functional groups in materials as well as information from any observed frequency shifts on aspects such as hydrogen bonding and crystallinity. In many cases, spectra can be recorded non-destructively using either reflection or transmission procedures. IR spectra of small samples can also be obtained through microscopes (IR microspectrometry). Chalmers and Dent [8] discuss the theory and practice of IR spectroscopy in their book on industrial analysis with vibrational spectroscopy. Standard spectra of additives for polymeric materials include the major collection by Hummel and Scholl [9]. 

As this chapter aims at explaining the basics, operational principles, advantages and pitfalls of vibrational spectroscopic sensors, some topics have been simplified or omitted altogether, especially when involving abstract theoretical or complex mathematical models. The same applies to methods having no direct impact on sensor applications. For a deeper introduction into theory, instrumentation and related experimental methods, comprehensive surveys can be found in any good textbook on vibrational spectroscopy or instrumental analytical chemistry1"4. 

Keywords Quantum chaos, Scar theory, Semiclassical theories, Excited vibrational states, Vibrational spectroscopy... 

The book has been written as an introductory text, not as an exhaustive review. It is meant for students at the start of their Ph.D. projects and for anyone else who needs a concise introduction to catalyst characterization. Each chapter describes the physical background and principles of a technique, a few recent applications to illustrate the type of information that can be obtained, and an evaluation of possibilities and limitations. A chapter on case studies highlights a few important catalyst systems and illustrates how powerful combinations of techniques are. The appendix on the surface theory of metals and on chemical bonding at surfaces is included to provide better insight in the results of photoemission, vibrational spectroscopy and thermal desorption. 

In this section we give a simple and qualitative description of chemisorption in terms of molecular orbital theory. It should provide a feeling for why some atoms such as potassium or chlorine acquire positive or negative charge upon adsorption, while other atoms remain more or less neutral. We explain qualitatively why a molecule adsorbs associatively or dissociatively, and we discuss the role of the work function in dissociation. The text is meant to provide some elementary background for the chapters on photoemission, thermal desorption and vibrational spectroscopy. We avoid theoretical formulae and refer for thorough treatments of chemisorption to the literature [2,6-8],... 

Pointer, P.C. Coleman, M.M. Koenig, J.L. The Theory f Vibrational Spectroscopy and its Application to Polymeric Materials Wiley, New York, 1982... 

This chapter was improved by thoughtful suggestions from E.A. Johnson, T. Chacko, A. D. Anbar, J. R. O Neil and C. M. Johnson. 1 would also like to thank H. R Taylor, Jr. for introducing me to stable isotope fractionation theory, and G. R. Rossman for making vibrational spectroscopy fun. 

PR. Griffiths and l.M. Olinger, Continnnm theories in diffuse reflection, in Handbook of Vibrational Spectroscopy, l.M. Chalmers and P.R. Griffiths (Eds), Sampling Techniques Vol. 2, John Wiley Sons, Ltd, Chichester, 2002. 

D. Steele, Theory of Vibrational Spectroscopy, WB Saunders, Philadelphia, PA, 1971. 

L. Woodward, Introduction to the Theory of Molecular Vibrations and Vibrational Spectroscopy, Oxford University Press, Oxford, 1976. 

FT-IR has almost become a ubiquitous technique in physical and analytical chemistry and a number of sources can be consulted for details 3,4 5,S). This review will only consider those applications related to polymer systems. A number of prior reviews of the applications of FT-IR have been written The relevant theory of vibrational spectroscopy of polymers will not be covered here as it has been treated in detail in a recent monograph15). An excellent discussion of the experimental aspects of the spectroscopy of polymers is also recommended 16). 

Painter, P. C., Coleman, M. M., Koenig, J. L. Theory of Vibrational Spectroscopy with Application to Polymers, John Wiley and Sons, New York 1981... 

For a more thorough discussion of group theory and vibrational spectroscopy, see Hams, D.C. Bertolucci, M. D. Symmetry and Spectroscopy, Dover New York, 1989, Chapter 3. 

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