Aldo Domenicano / István Hargittai (eds.)

Accurate Molecular Structures

Their Determination and Importance
Herausgeber: Domenicano, Aldo; Hargittai, Istvan; Hargittai, Istvban

• Gebundenes Buch

Produktbeschreibung

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.

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Produktdetails

• Verlag: Hurst & Co.
• Seitenzahl: 602
• Erscheinungstermin: 23. April 1992
• Englisch
• Abmessung: 234mm x 156mm x 33mm
• Gewicht: 1016g
• ISBN-13: 9780198555568
• ISBN-10: 0198555563
• Artikelnr.: 22037402

Inhaltsangabe

* 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