Читать книгу Computational Methods in Organometallic Catalysis - Yu Lan - Страница 11

It is time to write a book on computational organometallic chemistry.

The first part of this book can be considered as the introduction to computational organometallic chemistry. It is a long history since organometallic catalysis has been applied in organic synthesis; however, the mechanism of those reactions is too complicated to understand. Indeed, computational chemistry provided a powerful tool to reveal the mechanism of organometallic reactions. During recent two decades, the combination of computational chemistry and organometallic chemistry has made a series of progress in mechanistic studies, which has led to a new discipline, computational organometallic chemistry.

The first part would be composed of three chapters. In Chapter 1, a brief history of organometallics is given to reveal the significance of this chemistry. Computational chemistry, especially computational methods, is discussed in Chapter 2, which would be used in mechanism study of organometallic catalysis. Detailed processes for the familiar elementary reactions in organometallic catalysis discovered by theoretical calculations are summarized in Chapter 3.