Structure and Dynamics of Non-Rigid Molecular Systems

ISBN-13: 9789401044646 / Angielski / Miękka / 2012 / 309 str.

Y. G. Smeyers

Opis

This volume contains a selection of scientific papers related to the structure and dynamics of non-rigid molecules. This frontline topic was born a few decades ago, when Longuet-Higgins proposed his famous theory of Molecular Symmetry Groups (Mol. Phys. 6, (1962) 457). Unfortunately, since this early paper, very few publications have been devoted to the study of non-rigid molecules. Let us mention some books which dedicate some chapters to them: Induced Representations in Crystals and Molecules, by S. L. Altmann, Academic Publishers, 1977; Molecular Symmetry and Spectroscopy, by P. R. Bunker, Academic Publishers, 1979; and finally Large Amplitude Motion in Molecules, Vols. I and II, by several authors, Springer Verlag, 1979. More recently an International Symposium on Non-Rigid Molecules was held in Paris, France, from 1-7 July 1982, the proceedings of which were published in the volume entitled Symmetries and Properties of Non-Rigid Molecules. A Comprehensive Survey, edited by J. Maruani et al., Elsevier, 1983. Finally, we should mention the very specialized work The Permutational Approach to Dynamic Stereochemistry, by J. Brocas et al., McGraw-Hill, 1983. The purpose of this book is to fill in this information on the structure and dynamics of non-rigid systems. To this aim, we have gathered a collection of recent papers written by the most qualified specialists in the world, covering a large field from van der Waals molecules to inorganic complexes and organic polyrotor molecules, as well as considering statistical and dynamic aspects.

Spis treści

Editorial. Preface; R.S. Berry. Part I: Some Fundamental Questions in Non-Rigid Molecular Problems. The Structure, Symmetry, and Properties of Non-Rigid Molecules; A.I. Boldyrev. Do We Really Know How to Define Normal Vibrations in Non-Rigid Molecular Systems? G.A. Natanson. Generalizing the Molecular Symmetry Group of Longuet-Higgins to Asymmetric Tunneling Problems; R.G.A. Bone. Part II: Structure and Symmetry of Non-Rigid Molecular Systems. Characterization of Rotational Isomerization Processes in Monorotor Molecules; G.I. Cárdenas-Jirón, A. Toro-Labbé, C.W. Bock, J. Maruani. Group Theory for Three-Dimensional Non-Rigid Molecular Problems. Applications to the Double C3v Rotation, plus Bending, Wagging or Torsion Mode; Y.G. Smeyers. Non-Rigidity in Heptacoordinate Complexes; J. Brocas. Jet-Cooled Fluorescence Excitation Spectra and Carbonyl Wagging Potential Energy Functions of Cyclic Ketones in their Electronic Excited States; J. Lanne, J. Zhang, W.-Y. Chiang, P. Sagear, P. Cheatham. Part II: Dynamics of Non-Rigid Molecular Systems. Photofragmentation Dynamics of van der Waals Complexes; G. Delgado-Barrio, J.A. Beswick. Dynamics of Non-Rigid Molecules: Explorations of the Phase Space; D.E. Weeks, R.D. Levine. Index.