Molecular beam sampling mass‐spectrometric study of high‐temperature benzene oxidation

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Abstract
The oxidation of benzene has been investigated with a high‐temperature alumina flow reactor in the temperature range of 950–1150 K at residence times of ca. 1 ms and pressures of ca. 400 mbar. Analysis of the reaction products at various stages of the reaction was carried out by direct expansion of the reacting gas yielding a molecular beam that was analyzed by a mass spectrometer. Product identification studies were made by comparing the results from the oxidations of C6H6 and C6D6. Besides the products found in previous studies a number of new oxygenated intermediate species were identified, namely benzoquinone, cyclopentadienone, acrolein, and a C4H4O species. In addition, some higher hydrocarbons have been found even at high oxygen excess. The role of the intermediates within the current ideas of the reaction mechanism is discussed.

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