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Progress in Chemistry 2009, Vol. 21 Issue (04): 577-587 Previous Articles   Next Articles

• Review •

Theoretic Research on the Activation and Oxidation of Hydrocarbons

Hu Xingbang; Li Haoran**   

  1. (Department of Chemistry , Zhejiang University , Hangzhou 310027 , China)
  • Received: Revised: Online: Published:
  • Contact: Li Haoran E-mail:lihr@zju.edu.cn
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Theoretic researches on the activation and oxidation of hydrocarbons can lead to a deep understanding about the catalytic mechanism of different catalysts. It is helpful for designing and synthesizing more effective catalysts and oxidants for the activation and oxidation of hydrocarbons. The recent progresses in these fields were summarized in this paper. It focuses on the activation and oxidation on a series of hydrocarbons (from CH4 to these hydrocarbons with six carbons). The catalysts and oxidants reported here include organic metal compounds and inorganic compounds (such as molecular sieves, metal clusters, metal oxidates and so on). This paper is organized in the frame of different substrates. For the activation and oxidation of each substrate, different reaction processes with different catalysts and oxidants are introduced and compared.

Contents
1 Introduction
2 Two-state reactivity of catalysts with transition metal
3 Computational methods
4 Substrate with one carbon (Methane)
4.1 Reactions catalyzed by organic metal compounds
4.2 Reactions catalyzed by inorganic compounds
5 Substrates with two carbons
5.1 Ethane
5.2 Ethene
6 Substrates with three carbons
7 Substrates with 4~6 carbons
8 Conclusions and remarks

Key words: hydrocarbons, activation, oxidation, organic metal catalyst, inorganic catalyst, methane

CLC Number: 

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