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Citation: He Li-Zhen, Chen Guang-Ju, Liu Ruo-Zhang. Investigation of the Thermal Reaction of Propene Forming Methylcyclopentane[J]. Acta Physico-Chimica Sinica, ;1999, 15(04): 308-312. doi: 10.3866/PKU.WHXB19990405 shu

Investigation of the Thermal Reaction of Propene Forming Methylcyclopentane

1.
Department of Chemistry,Beijing Normal University,Beijing 100875

Received Date: 8 July 1998
Available Online: 15 April 1999

The mechanism of the thermal reaction(800K/4.00-26. 66kPa) of propene producing methylcyclopentane has been studied theorecally by ab initio MO method at the level of UMP/ 3-21G. The results show that it is a three-step biradical reaction with L4-biradical and 1, 5-biradical as intermediates in sequence. The reaction pathway found in this article confirms the mechanism proposed by experimentalists.
- Propene,
- Methylcyclopentane,
- Ab initio MO method,
- UMP
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