This book presents a detailed look at experimental and computational techniques for accurate structure determination of free molecules. The most fundamental property of a molecule is its structure - it is a prerequisite for determining and understanding most other important properties of molecules. The determination of accurate structures is hampered by a myriad of factors, subjecting the collected data to non-negligible systematic errors. This book explains the origin of these errors and how to mitigate and even avoid them altogether. It features a detailed comparison of the different experimental and computation methods, explaining their interplay and the advantages of their combined use. Armed with this information, the reader will be able to choose the appropriate methods to determine - to a great degree of accuracy - the relevant molecular structure.

Many satellites have recently been launched or are in preparation, which operate in the microwave to IR ranges, the main objective being to observe the earth's atmosphere or interstellar clouds. Analysis of the data they supply requires extensive laboratory work because we still only have sufficiently accurate data (line positions, intensities, and profiles) for only a few species. Furthermore, the observer community is making increasing calls for laboratory data, as new development open up new observational possibilities (such as submillimeter observation). Research on these subjects involves many different areas of specialisation in fields of research that generate a wealth of data. In Spectroscopy from Space the people responsible for field observations explain which results they are expecting from their measurements and how laboratory people can help them to analyse their satellite data. Laboratory spectroscopists explain why what they can do now, and what kinds of experiment and theoretical development that might undertake to meet the needs of the remote sensing community. The problems of distributing reliable laboratory data in a timely way are also addressed.

Molecular structure is the most basic information about a substance, determining most of its properties. Determination of accurate structures is hampered in that every method applies its own definition of "structure" and thus results from different sources can yield significantly different results. Sophisticated protocols exist to account for these differences, but until now, no textbook has been written to discuss such topics in a widely accessible manner. Balancing quantum theory with practical experiments, Equilibrium Molecular Structures focuses on the theory involved in determining and converting measured and computed data sets into accurate and well-defined equilibrium structures. This textbook begins with a discussion of quantum chemistry and the concept of potential energy surfaces, quantum chemical computation of structures and anharmonic force fields. The reader is next introduced to the method of least squares and the problem of ill-conditioning, leverage points, perturbation theory, computational aspects of determining semi-experimental equilibrium structures, the determination of moments of inertia from spectra, and the treatment of resonances. The textbook also examines the determination of diatomic molecular potentials using semiclassical and quantum mechanical methods as well as position and distance averages. From basic elements to the latest advances and current best practices, Equilibrium Molecular Structures contains abundant references, examples, and exercises. Additional examples are also available as downloadable support material on the publishers website. These features make the book ideal for class instruction but also user-friendly for self-instruction. It is recommended for newcomers to the field and also for experienced spectroscopists who want to expand their area of knowledge.

This book examines around 400 of the most striking examples of structural studies of free molecules—selected and analyzed by virtue of the unique molecular complexity and novelty of the experimental techniques used. The properties of chemical, pharmaceutical, and biological compounds depend mainly on their molecular structure, the determination of which is of fundamental interest. Featuring high-quality structural data determined using modern techniques in electron diffraction and high-resolution spectroscopy, the book is an indispensable resource for graduate students and professional scientists specializing in structural chemistry and other relevant fields.

This book presents a detailed look at experimental and computational techniques for accurate structure determination of free molecules. The most fundamental property of a molecule is its structure - it is a prerequisite for determining and understanding most other important properties of molecules. The determination of accurate structures is hampered by a myriad of factors, subjecting the collected data to non-negligible systematic errors. This book explains the origin of these errors and how to mitigate and even avoid them altogether. It features a detailed comparison of the different experimental and computation methods, explaining their interplay and the advantages of their combined use. Armed with this information, the reader will be able to choose the appropriate methods to determine - to a great degree of accuracy - the relevant molecular structure.

The first part of the proceedings describes the current capabilities of various satellite experiments which are performing measurements of the Earth's atmosphere, as for example some of the results obtained recently by three experiments onboard the ENVISAT Environment Satellite (ENVISAT), namely, the Global Ozone Monitoring Experiment (GOME), the SCanning Imaging Absorption for Atmospheric CHartographY (SCIAMACHY) and the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS). For the analysis of spectra recorded by these instruments it is necessary to make good use of efficient radiative transfer codes. These computer codes need as input, a dataset of high quality spectroscopic parameters which can be generated only through a careful analysis of high quality laboratory measurements. In addition some of the future satellite missions which are under preparation at the European Space Agency (ESA) are briefly described.

Many satellites have recently been launched or are in preparation, which operate in the microwave to IR ranges, the main objective being to observe the earth's atmosphere or interstellar clouds. Analysis of the data they supply requires extensive laboratory work because we still only have sufficiently accurate data (line positions, intensities, and profiles) for only a few species. Furthermore, the observer community is making increasing calls for laboratory data, as new development open up new observational possibilities (such as submillimeter observation). Research on these subjects involves many different areas of specialisation in fields of research that generate a wealth of data. In Spectroscopy from Space the people responsible for field observations explain which results they are expecting from their measurements and how laboratory people can help them to analyse their satellite data. Laboratory spectroscopists explain why what they can do now, and what kinds of experiment and theoretical development that might undertake to meet the needs of the remote sensing community. The problems of distributing reliable laboratory data in a timely way are also addressed.