Computational Methods in Organometallic Catalysis

From Elementary Reactions to Mechanisms
1. Auflage 2021
ISBN: 978-3-527-34601-1
Verlag: WILEY-VCH

Buch, Englisch, 416 Seiten, Format (B × H): 183 mm x 257 mm, Gewicht: 1474 g

Computational Methods in Organometallic Catalysis

Discover recent advances in the mechanistic study of organometallic catalysis
In Computational Methods in Organometallic Catalysis: From Elementary Reactions to Mechanisms, distinguished chemist and author Yu Lan delivers a synthesis of the use of calculation methods and experimental techniques to improve the efficiency of reaction and yield of product and to uncover the factors that control the selectivity of product. Providing not only a theoretical overview of organometallic catalysis, the book also describes computational studies for the mechanism of transition-metal-assisted reactions.
You’ll learn about Ni-, Pd-, Pt-, Co-, Rh-, Ir-, Fe-, Ru-, Mn-, Cu-, Ag-, and Au- catalysis. You’ll also discover many of the experimental and theoretical advances in organometallic catalysis reported in the recent literature. The book summarizes and generalizes the advances made in the mechanistic study of organometallic catalysis.
Readers will also benefit from the inclusion of: - A thorough introduction to computational organometallic chemistry, including a brief history of the discipline and the use of computational tools to study the mechanism of organometallic chemistry
- An exploration of computational methods in organometallic chemistry, including density functional theory methods and basis sets and their application in mechanism studies
- A practical discussion of elementary reactions in organometallic chemistry, including coordination and dissociation, oxidative addition, reductive elimination, insertion, elimination, transmetallation, and metathesis
- A concise treatment of the theoretical study of transition-metal catalysis.

Perfect for organic, catalytic, complex, and structural chemists, Computational Methods in Organometallic Catalysis will also earn a place in the libraries of theoretical chemists seeking a one-stop organometallic catalysis resource with a focus on the mechanism of transition-metal-assisted reactions.

Autoren/Hrsg.

Lan, Yu

Weitere Mitwirkende

Houk, Kendall N.

Fachgebiete

• Naturwissenschaften Chemie Chemie Allgemein Chemometrik, Chemoinformatik
• Naturwissenschaften Chemie Physikalische Chemie Chemische Reaktionen, Katalyse
• Naturwissenschaften Chemie Organische Chemie

Inhaltsverzeichnis

PART 1. THEORETICAL VIEW OF ORGANOMETALLIC CATALYSIS
1. Introduction of Computational Organometallic Chemistry
2. Computational Methods in Organometallic Chemistry
3. Elementary Reactions in Organometallic Chemistry
 
PART 2. ON THE MECHANISM OF TRANSITION-METAL-ASSISTED REACTIONS
4. Theoretical Study of Ni-Catalysis
5. Theoretical Study of Pd-Catalysis
6. Theoretical Study of Pt-Catalysis
7. Theoretical Study of Co-Catalysis
8. Theoretical Study of Rh-Catalysis
9. Theoretical Study of Ir-Catalysis
10. Theoretical Study of Fe-Catalysis
11. Theoretical Study of Ru-Catalysis
12. Theoretical Study of Mn-Catalysis
13. Theoretical Study of Cu-Catalysis
14. Theoretical Study of Ag-Catalysis
15. Theoretical Study of Au-Catalysis
 

Über Autor(innen)

Yu Lan completed his Ph.D. in 2008 at Peking University under the supervision of Professor Yun-Dong Wu. From 2002 to 2012, he worked as a postdoctral fellow at the University of California, Los Angeles with Professor K. N. Houk. He then joined the faculty of Chongqing University. Since 2018, he moved to Zhengzhou University as a Professor. In 2016, he received the "Chinese Chemical Society Award for Outstanding Young Chemist". Professor Lan has been invited to introduce by "Author Profile" column in Angewandte Chemie. His current research interest focuses on theoretical study of the mechanism and selectivity for transition-metal-assisted cross-coupling reactions.