Accurate Molecular Structures

Their Determination and Importance
Erscheinungsjahr 1992
ISBN: 978-0-19-855556-8
Verlag: OUP Oxford

Buch, Englisch, 602 Seiten, Format (B × H): 161 mm x 240 mm, Gewicht: 1063 g

Modern experimental and computational techniques are capable of determining bond lengths and angles with precisions of a few thousandths of an oangström 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.

Here, internationally respected authors present all modern experimental and computational techniques for the determination of accurate molecular structures for the first time in one volume. They establish guidelines for accuracy requirements in answering broadly varying questions in current chemical research.

Autoren/Hrsg.

Domenicano, Aldo

Hargittai, István

Fachgebiete

• Naturwissenschaften Physik Thermodynamik Festkörperphysik, Kondensierte Materie
• Naturwissenschaften Chemie Physikalische Chemie Chemische Kristallographie
• Naturwissenschaften Chemie Physikalische Chemie Quantenchemie, Theoretische Chemie
• Geowissenschaften Geologie Petrologie, Mineralogie
• Naturwissenschaften Chemie Analytische Chemie Massenspektrometrie, Spektroskopie, Spektrochemie

Inhaltsverzeichnis

- 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