Organometallic bonding and reactivity fundamentals studies, Softcover reprint of the original 1st ed. 1999
Fundamental Studies

Topics in Organometallic Chemistry Series, Vol. 4

Coordinators: Brown J.M., Hofmann P.

Language: Anglais

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195 p. · 15.5x23.5 cm · Paperback
Written by experts and pioneers in the field, the volume addresses state-of-the-art theoretical and experimental methodologies applicable to fundamental problems of structure and reactivity of organometallic compounds. The principles of ab initio and density functional theory, as well as integrated force field/quantum chemistry approaches are outlined, with particular emphasis on their applicability to transition metal organometallic molecules and their reactions. Specific case studies, spanning a range from static structural aspects to molecular structure dynamics, reaction mechanisms and catalytic cycles illustrate the power of modern quantum chemistry for organometallics. Experimental properties of organometallic systems, derived from gas phase organometallic chemistry as well as solid state structural chemistry provide deep and complementary insights into the fundamentals of the chemistry of the metal-carbon bond.
Gas-Phase Organometallic Chemistry.- Static and Dynamic Structures of Organometallic Molecules and Crystals.- Theoretical Treatment of Organometallic Reaction Mechanisms and Catalysis.- A Critical Assessment of Density Functional Theory with Regard to Applications in Organometallic Chemistry.- Hybrid Quantum Mechanics/Molecular Mechanics Methods in Transition Metal Chemistry.