Equilibrium Structure of Free Molecules - Demaison, Jean

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Résumé :
The properties of chemical, pharmaceutical, and biological compounds depend mainly on their molecular structure, whose determination is of fundamental interest. This book examines and systematizes more than three hundred striking structural determinations of free molecules. Featuring high-quality structural data and presenting modern techniques of their determinations by quantum chemistry, high-resolution spectroscopy and electron diffraction, the book is an indispensable resource for graduate students and professional scientists specializing in structural chemistry and other related fields.

Biographie:
Natalja Vogt received her Ph.D. in physical chemistry on the topic Electron diffraction study of the first-row transition metal difluorides from the Ivanovo University of Chemical Technology (now Russia) in 1986 in Prof. G. V. Girichev's group. In 1989, she received also her diploma in physics from Ivanovo State University, afterwards carrying out postdoctoral research at the Hungarian Academy of Sciences in Budapest in Prof. Istvan Hargittai's group from 1989 to 1990. As of 1991, she has been working in the Section of Chemical Information Systems (former Spectra and Structure Documentation) at the University of Ulm, Germany, and, since 2009, is employed there as a Senior Scientist. She is one of the establishers of the MOGADOC database for the structure of free molecules. In 2012, she prepared her habilitation thesis in physical chemistry at the Lomonosov Moscow State University on the topic Determination of equilibrium structures of biomolecules. Since 2013, she is also Professor in the Chemistry Department at the Lomonosov Moscow State University. Between 1993 and 2014, she was a co-editor and/or co-author of the Landolt-B?rnstein volumes Structure Data of Free Polyatomic Molecules (Group II: Molecules and Radicals...

Sommaire:
Introduction.- Quantum Chemical Methods.- Rovibrational Spectroscopy and Structure of Diatomic Molecules.- Rotational Constants of a Polyatomic Molecule.- Equilibrium Structures of Semirigid Molecules from the Rotational Constants.- Structure of Nonrigid Molecules by Spectroscopic Methods.- Equilibrium Molecular Structure as Determined by Gas-phase Electron Diffraction.- Other Methods, Mainly for the X?H bond (X = C, N, O).- Database with Equilibrium Structures of Free Molecules.