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The current volume in the series "Vibrational Spectra and Structure" is a single topic volume on the vibrational spectra of molecules containing silicon in the solid state. "Molecular Approaches to Solids" has been treated by the workers in the Institute for Silicate Chemistry of the Russian Academy of Science in St. Petersburg for the past two decades. In the last 15 years, a number of publications have originated from the laboratory where quantum mechanical computations for suitably selected molecules have been utilized to explain the origins of some structure bonding interrelationships and silicates and to evaluate their force constants. Since most of the developments in this area have been published in the Russian literature they remain relatively inaccessible to the Western scientists. This volume is a compilation of many of these publications and summarizes the essential conclusions of these studies. Unfortunately, Professor Lazarev passed away after he had
submitted the volume for publication.
In the past few years it has become apparent that Fourier Trans form infrared spectroscopy is developing into an excellent technique for solving some of the very difficult problems encountered in analytical chemistry. The applications of FT-IR include the detec tion and identification of chemical components separated by gas chromatography techniques, determination of low concentration com ponents in a mixture, and problems which have energy limitations such as water samples, opaque samples and biological systems. The lectures presented in this volume will be utilized at the NATO Advanced Study Institute in Florence, Italy from August 31 to September 12, 1980. These lectures are divided into three main sections: Instrumentation and Theory, Techniques, and Applications. The first section includes a basic introduction to interferometry and the operating parameters. The Techniques section consists of several lectures on accessories used in FT-IR, software and data systems, and special handling techniqucs. The third section con tains an abundance of information on the applications of the FT-IR technique to inorganic and organic molecules, polymers, biological systems, solids and to the determination of molecular structures and conformational analyses. The contents of this volume should provide the reader with the present applications in this field as well as an indication of possible future trends. In gcneral the lectures are of a pedagogical nature and are not to be considered as review articles."
The current volume in the series, "Vibrational Spectra and
Structure, "is a single topic volume on gas phase structural
parameters. The title of the volume, "Equilibrium Structural
Parameters," covers the two most common techniques for obtaining
gas phase structural parameters: microwave spectroscopy and the
electron diffraction technique. Since the quantum chemical method
provides equilibrium geometries, the volume is an attempt to
provide a connection between the experimental and theoretical
parameters. The book provides a review on molecular structure
determinations from spectroscopic data using scaled moments of
inertia. The limited number of molecules for which equilibrium
parameters have been obtained and the requirement of a large number
of microwave data needed to obtain the equilibrium structural
parameters is noted. Electron diffraction technique is reviewed,
along with a description of how this can incorporate structural
information from microwave spectroscopy, vibrational spectroscopy,
or theoretical calculations to improve the determination of the
structural parameters by electron diffraction studies. Also
discussed are the theory and methods of microwave spectroscopy,
describing in some detail ro and rs structures as well as rm
structures and corrections based on "ab initio" calculations. The
accuracy of the molecular geometry predictions by quantum chemical
methods is considered in some detail with data presented in graphic
rather than tabular form. This makes it possible to readily note
the difference in the parameters predicted at the various levels of
quantum mechanical calculations. The four authors have provided a
coherent description of the various structural parameters obtained
experimentally along with treatments needed to extract equilibrium
bond distances and angles.
In the past few years it has become apparent that Fourier Trans form infrared spectroscopy is developing into an excellent technique for solving some of the very difficult problems encountered in analytical chemistry. The applications of FT-IR include the detec tion and identification of chemical components separated by gas chromatography techniques, determination of low concentration com ponents in a mixture, and problems which have energy limitations such as water samples, opaque samples and biological systems. The lectures presented in this volume will be utilized at the NATO Advanced Study Institute in Florence, Italy from August 31 to September 12, 1980. These lectures are divided into three main sections: Instrumentation and Theory, Techniques, and Applications. The first section includes a basic introduction to interferometry and the operating parameters. The Techniques section consists of several lectures on accessories used in FT-IR, software and data systems, and special handling techniqucs. The third section con tains an abundance of information on the applications of the FT-IR technique to inorganic and organic molecules, polymers, biological systems, solids and to the determination of molecular structures and conformational analyses. The contents of this volume should provide the reader with the present applications in this field as well as an indication of possible future trends. In gcneral the lectures are of a pedagogical nature and are not to be considered as review articles."
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