2,2,5,5-Tetramethylhexane

2,2,5,5-Tetramethylhexane as A Product of Neopentyl Radical Self-Reaction

Ksenia A. Loginova, et al. Chemical Physics Letters, 2011, 513(1-3), 37-41.

The kinetics of neopentyl radical ((CH3)3CCH2) self-reaction were studied using laser photolysis/photoionization mass spectrometry, and 2,2,5,5-tetramethylhexane (C10H22) was observed as neopentyl self-reaction the formation of the main products. The self-reaction of neopentyl radical is expressed as:
Neo-C5H11 + Neo-C5H11 → C10H22 (2,2,5,5-Tetramethylhexane, or bineopentyl).
Highlights of the work
· 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 molecule cm.
· The observed overall neo-CH + neo-CH rate constants demonstrate negative temperature dependence: k = 3.1 × 10 exp(+506 K/T) cm molecule s, with estimated uncertainty of 17% over the 300-500 K temperature range.
· Additional substituents at the radical center and increasing steric bulk of radicals result in stronger negative temperature dependences of their theoretically calculated recombination rate constants.
· C10H22 (2,2,5,5-Tetramethylhexane) was observed as the primary product of the reaction.