Instrumentation infrared and Raman

Work in three laboratories comprises most of the MD hydrate studies. The pioneering works of Tse and coworkers (1983a,b, 1984, 1987) are exemplary in comparing simulation calculations to measurements, principally through macroscopic or spectroscopic techniques. The recent work of Tse et al. (1997) suggests limits to the use of infrared and Raman instruments due to enclathration changes of guest electronic and vibrational properties. 

Tt is well-known that Werner determined the structure of a number of metal complexes by skillfully combining his famous coordination theory with chemical methods (30). Modern physico-chemical methods such as x-ray diffraction and infrared spectroscopy, used in the study of Werner complexes, have paralleled the development of these techniques. The results of these investigations have not only confirmed the validity of Werner s coordination theory but have also provided more detailed structural and bonding information. In early 1932, Damaschun (13) measured the Raman spectra of seven complex ions, such as [Cu(NH3)4]" and [Zn(CN)4j and these may be the first vibrational spectra ever obtained for Werner complexes. In these early days, vibrational spectra were mainly observed as Raman spectra because they were technically much easier to obtain than infrared spectra. In 1939, Wilson 35, 36) developed a new theory, the GF method," which enabled him to analyze the normal vibrations of complex molecules. This theoretical revolution, coupled with rapid developments of commercial infrared and Raman instruments after World War II, ushered in the most fruitful period in the history of vibrational studies of inorganic and coordination compounds. 

I 7 Infrared and Raman Instrumentation for Mapping and Imaging raster scanning... 

At this point in time, however, far-infrared and Raman instrumentation have been greatly improved, and almost routine studies are possible. Since microwave studies are usually very time-consuming, it would now appear most efficient to use optical methods for the study of these molecules. Band assignments in many cases are not altogether clear however, cross checks are now available through Raman and infrared studies, and once a molecule has been subjected to such checks, one can now accept optical results with some confidence. 

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