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Theoretical Aspects of Transition Metal Catalysis: -/-

✍ Scribed by Djamaladdin G. Musaev, Keiji Morokuma (auth.), Gernot Frenking (eds.)


Publisher
Springer-Verlag Berlin Heidelberg
Year
2005
Tongue
English
Leaves
263
Series
Topics in Organometallic Chemistry 12
Edition
1
Category
Library

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✦ Synopsis


Transition metal catalysis belongs to the most important chemical research areas because a ubiquitous number of chemical reactions are catalyzed by transition metal compounds. Many efforts are being made by industry and academia to find new and more efficient catalysts for chemical processes. Transition metals play a prominent role in catalytic research because they have been proven to show an enormous diversity in lowering the activation barrier for chemical reactions. For many years, the search for new catalysts was carried out by trial and error, which was costly and time consuming. The understanding of the mechanism of the catalytic process is often not very advanced because it is difficult to study the elementary steps of the catalysis with experimental techniques. The development of modern quantum chemical methods for calculating possible intermediates and transition states was a breakthrough in gaining an understanding of the reaction pathways of transition metal catalyzed reactions. This volume, organized into eight chapters written by leading scientists in the field, illustrates the progress made during the last decade. The reader will obtain a deep insight into the present state of quantum chemical research in transition metal catalysis.

✦ Table of Contents


Transition Metal Catalyzed Οƒ-Bond Activation and Formation Reactions....Pages 1-30
Theoretical Studies of C-H Οƒ-Bond Activation and Related Reactions by Transition-Metal Complexes....Pages 31-78
Enantioselectivity in the Dihydroxylation of Alkenes by Osmium Complexes....Pages 79-107
Organometallacycles as Intermediates in Oxygen-Transfer Reactions. Reality or Fiction?....Pages 109-144
Late Transition Metals as Homo- and Co-Polymerization Catalysts....Pages 145-186
Co-Oligomerization of 1,3-Butadiene and Ethylene Promoted by Zerovalent β€˜Bare’ Nickel Complexes....Pages 187-218
The Cluster Approach for the Adsorption of Small Molecules on Oxide Surfaces....Pages 219-256

✦ Subjects


Organometallic Chemistry; Theoretical and Computational Chemistry; Medicinal Chemistry; Inorganic Chemistry


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