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Covers the major experimental and theoretical methods currently used to study the energetics of stable molecules and reactive intermediates. Reviews the ate of the art and shows the interplay of experimental and theoretical methods used to probe bonding energetics and reactivity and a wide range of chemical species.
A modern and invaluable introduction to the study of molecular energetics. A reference for workers currently involved in the field.
Table des matières
1. Experimental Methods to Derive Bond Energy Data. A Schematic Overview.- 2. Oxygen Bomb Combustion Calorimetry: Principles and Applications to Organic and Organometallic Compounds.- 3. The Nuts and Bolts and Results of Fluorine Bomb Calorimetry.- 4. Titration Calorimetry for the Determination of Basicities of Transition Metal Complexes.- 5. Photocalorimetry. Methods and Applications.- 6. Photoacoustic Calorimetry; The Determination of Bond Dissociation Enthalpies in Solution and in the Gas Phase.- 7. Energetics of Transition Metal-X Bonding Probed by Electrochemical Techniques.- 8. A Protocol for Deriving Values for ?fusHm(298.15 K) and ?vapHm(298.15 K). Applications in Obtaining ?subHm(298.15 K).- 9. Measurements of Enthalpies of Sublimation: The Importance of Correlating Thermodynamic Data Obtained from Indirect Methods.- 10. Applications of Transient Infrared Spectroscopy to Coordinatively Unsaturated Metal Carbonyls.- 11. Energetics and Structures of Gas Phase Ions : Macromolecules, Clusters and Ligated Transition Metals.- 12. High Presure Mass Spectrometry. Instrumentation, Techniques and Applications.- 13. FT ICR. Basic Principles and Some Representative Applications.- 14. The Role of Ion Dissociation Dynamics in the Study of Ion and Neutral Thermochemistry.- 15. Shock Tube Studies on the Stability of Polyatomic Molecules and the Determination of Bond Energies.- 16. Extracting Thermochemical Information from AB Initio Data.- 17. AB Initio Thermochemistry Beyond Chemical Accuracy for First- and Second-Row Compounds.- 18. Heats of Formation by Density Functional Theory Calculations.- List of Participants.
Résumé
Proceedings of the NATO Advanced Study Institute, Castelo Blanco, Portugal 14-24 July 1998
