Kinetics of the self reaction of neopentyl radicals

• Published in: Chemical physics letters Vol. 513; no. 1; pp. 37 - 41
• Main Authors: Loginova, Ksenia A., Knyazev, Vadim D.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 06.09.2011
• ISSN: 0009-2614; 1873-4448
• DOI: 10.1016/j.cplett.2011.07.087

[Display omitted] ► The kinetics of the neopentyl radical self reaction has been studied experimentally. ► Temperature dependence of the reaction rate constant has been determined. ► The rate constant decreases with temperature. ► C 10H 22 was observed as the primary product of the reaction. The kinetics of the self reaction of neopentyl radicals ((CH 3) 3CCH 2) was studied by laser photolysis/photoionization mass spectroscopy. Overall rate constants were obtained in direct real-time experiments in the temperature region 300–500 K and at bath gas densities of (3.00–12.0) × 10 16 molecule cm −3. The observed overall neo-C 5H 11 + neo-C 5H 11 rate constants demonstrate negative temperature dependence: k 1 = 3.1 × 10 −12 exp(+506 K/T) cm 3 molecule −1 s −1, with estimated uncertainty of 17% over the 300–500 K temperature range. Formation of C 10H 22 (mass to charge ratio of 142, interpreted as 2,2,5,5-tetramethylhexane) as the primary product of neopentyl self reaction was observed.