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Accurate Molecular Structures : Their Determination and Importance - Aldo Domenicano

Accurate Molecular Structures

Their Determination and Importance

By: Aldo Domenicano (Editor), István Hargittai (Editor)

Hardcover Published: 19th March 1992
ISBN: 9780198555568
Number Of Pages: 608

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Modern experimental and computational techniques are capable of determining bond lengths and angles with precisions of a few thousandths of an angstrom and a few tenths of a degree. Such precisions are meaningful only if they are coupled with rigorous error analysis and careful evaluation of the physical meaning of the parameters. This book demonstrates the meaning and applicability of accurate structures and their variations following a rigorous exposure of the demands and caveats in their determination. It establishes guidelines for accuracy requirements in answering broadly varying questions in current chemical research. The 21 chapters by internationally recognized authors discuss the following topics: potential energy surfaces; microwave, infrared, and liquid crystal NMR spectroscopies; gas phase electron diffraction; X-ray and neutron crystallography; electron density studies; ab initio molecular orbital methods and molecular mechanics calculations; the use of structural databases; applications to organic inorganic and organometallic chemistry; studies of reaction pathways; effects of substitution and crystal environment on molecular structure.

`The authors of the various chapters and the editors have evidently put in a great deal of work, with the result that most contributions have gained in thoroughness, perspective, and clarity ... the original lecture notes have been transformed into an important book which will remain the standard woprk for teachers, students and researchers for many years to come.' Jack D. Dunitz, Laboratorium für organische Chemie, CH-8092 Zürich, Journal of Applied Crystallography, (1993) `. . . an important book which will remain the standard work for teachers, students, and researchers for years to come.' Acta Crystallographica

1: Massimo Simonetta and Angela Gavezzotti: Structural Chemistry 2: Kozo Kuchitsu: The Potential Energy Surface and the Meaning of Internuclear Distances 3: Bouke P. van Eijck: Reliability of Structure Determinations by Microwave Spectroscopy 4: Georges Craner: Determination of Accurate Molecular Structure by Vibration-Rotation Spectroscopy 5: Istvan Hargittai: Gas-phase Electron Diffraction 6: Jenny P. Glusker and Aldo Domenicano: X-ray Crystallography: An Introduction 7: Paul Seiler: Measurement of Accurate Bragg Intensities 8: Kenneth N. Trueblood: Diffraction Studies of Molecular Motion in Crystals 9: Carlo M. Gramaccioli: Lattice-dynamical Interpretation of Crystallographic Thermal Parameters 10: Fred L. Hirschfeld: The Role of Electron Density in X-ray Crystallography 11: Georges A. Jeffrey: Accurate Crystal Structure Analysis by Neuron Diffraction 12: Peter Diehl: Nuclear Magnetic Resonance Spectroscopy and Precise Molecular Geometries 13: James E. Boggs: Quantum Mechanical Determination of Static and Dynamic Structure 14: Norman L. Allinger: Molecular Mechanics 15: Frank H. Allen: Crystallographic Databases: Retrieval and Analysis of Precise Structural Information From the Cambridge Structural Database 16: Georges Wipff and Stephane Boudon: The Importance of Accurate Structure Determination in Organic Chemistry 17: Valeria Ferretti and Katharina C. Dubler-Steudle and Hans-Beat Burgi: Structure Correlations, Reaction Pathways and Energy Surfaces for Chemical Reactions 18: Aldo Domenicano: Structural Substituent Effects in Benzene Derivatives 19: Joel Bernstein: Effect of Crystal Environment on Molecular Structures 20: Jeremy K. Burdett: The Importance of Accurate Structure Determination in Inorganic Chemistry 21: Vincenzo G. Albano and Dario Braga: Structural variability in metal cluster compounds

ISBN: 9780198555568
ISBN-10: 0198555563
Series: International Union of Crystallography Monographs on Crystal
Audience: Professional
Format: Hardcover
Language: English
Number Of Pages: 608
Published: 19th March 1992
Country of Publication: GB
Dimensions (cm): 23.39 x 15.6  x 3.33
Weight (kg): 1.07