Spectroscopy theoretical principles

Barnett W. B., Fassel V. A. and Kniseley R. N. (1968) Theoretical principles of internal standardization in analytical emission spectroscopy, Spectrochim Acta 23 643-664. 

In this chapter NMR-SIM is used to illustrate the theoretical principles of NMR spectroscopy instead of the more usual pure mathematical description. There are many textbooks, reviews and original papers in the literature dealing with the fundamentals of NMR spectroscopy and the reader is referred to them [2.1 - 2.7]. Alternatively the reader can use the list of references at the end of chapter 5 but these relate primarily to the pulse sequences discussed in that chapter. The design of any new experiment always starts with a formal analysis of the problem and an examination of the coherence transfer processes necessary to obtained the required information. The present chapter focuses on three items ... 

A number of unstable and transient species have been synthesized via matrix cocondensation reactions, and their structure and bonding have been studied by vibrational spectroscopy. The principle of the method is to cocondense two solute vapors (atom, salt, or molecule) diluted by an inert gas on an IR window (IR spectroscopy) or a metal plate (Raman spectroscopy) that is cooled to low temperature by a cryocooler. Solid compounds can be vaporized by conventional heating (Knudsen cell), laser ablation, or other techniques, and mixed with inert gases at proper ratios [128]. In general, the spectra of the cocondensation products thus obtained exhibit many peaks as a result of the mixed species produced. In order to make band assignments, the effects of changing the temperature, concentration (dilution ratios), and isotope substitution on the spectra must be studied. In some cases, theoretical calculations (Sec. 1.24) must be carried out to determine the structure and to make band assignments. Vibrational frequencies of many molecules and ions obtained by matrix cocondensation reactions are listed in Chapter 2. 

A method which can be used to give complementary information about conformations and kinetics is low temperature spectroscopy described by Austin and Shyamsunder [7]. Experimental methods for measuring absorption and fluorescence, theoretical principles involved in their interpretation, and recombination kinetics of carbon monoxide and other ligands with the heme iron in myoglobin are discussed. 

There have been several reviews published on the general use of CPL to study chiral molecular systems. Steinberg wrote the first review on CPL spectroscopy emphasizing applications to biochemical systems (Steinberg, 1975), and Richardson and Riehl published a review of CPL in 1977 (Richardson and Riehl, 1977) and an updated review in 1986 (Riehl and Richardson, 1986). Brittain published a review of the use of CPL to study chiral lanthanide complexes in 1989 (Brittain, 1989). Several other recent articles describing various general aspects of CPL measurements and CPL theoretical principles are also available (Riehl and Richardson, 1993 Riehl, 1993, 2000 Maupin and Riehl, 2000). In this article we will review the various applications of CPL to the study of lanthanide complexes, as well as provide an up-to-date assessment of the state of theory and instramentatiorL We will emphasize both the qrralitative artd qrrarrtitative molecular information that has so far been obtained from this technique, and disctrss the future of CPL as a reliable probe of the molecular stereocherrristry of lanthanide complexes. 

Salamon Z, MacLeod HA, ToUin G (1997) Surfece plasmon resonance spectroscopy as a tool for investigating the biochemical and biophysical properties of membrane protein systems. I Theoretical principles. Biochimica et Biophysica Acta - Reviews on Biomembranes 1331 117-129... 

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