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Information Journal Paper

Title

H2 ELIMINATION AND C-C BOND CLEAVAGE OF PROPENE: A THEORETICAL RESEARCH

Pages

  123-127

Keywords

H2 ELIMINATION 

Abstract

Propene dissociation channels were characterized by ab initio CCSD (T) /6-311++g (d, p) calculations. In this work the detailed mechanism of propene dissociation to C2H4+CH2, C2H2+H+CH3, C2H2+CH4 and C3H3+H2+H have been investigated. According to our calculations, ten fragments can be classified into five dissociated channels. Our results point out that two mechanisms come into play in the H2 elimination channels. These channels are responsible for the formation of CH2CCH. The C-C bonds rupture occur through three different channels.

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    APA: Copy

    HOMAYOON, ZAHRA. (2011). H2 ELIMINATION AND C-C BOND CLEAVAGE OF PROPENE: A THEORETICAL RESEARCH. JOURNAL OF PHYSICAL CHEMISTRY AND ELECTROCHEMISTRY, 1(3), 123-127. SID. https://sid.ir/paper/320125/en

    Vancouver: Copy

    HOMAYOON ZAHRA. H2 ELIMINATION AND C-C BOND CLEAVAGE OF PROPENE: A THEORETICAL RESEARCH. JOURNAL OF PHYSICAL CHEMISTRY AND ELECTROCHEMISTRY[Internet]. 2011;1(3):123-127. Available from: https://sid.ir/paper/320125/en

    IEEE: Copy

    ZAHRA HOMAYOON, “H2 ELIMINATION AND C-C BOND CLEAVAGE OF PROPENE: A THEORETICAL RESEARCH,” JOURNAL OF PHYSICAL CHEMISTRY AND ELECTROCHEMISTRY, vol. 1, no. 3, pp. 123–127, 2011, [Online]. Available: https://sid.ir/paper/320125/en

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