Recombination of tert-butyl radicals: the role of weak van der Waals interactions |
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| Authors: | Marek Naroznik Jan Niedzielski |
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| Institution: | (1) Chemical–Mathematical Department, University of Podlasie, 08-110 Siedlce, Poland, PL;(2) Chemistry Department, Warsaw University, 02-089 Warsaw, Poland, PL |
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| Abstract: | A mechanism for the recombination of tert-butyl radicals is postulated to involve the loosely bonded intermediates tert-C4H9⋯tert-C4H9. Three processes contribute to the overall recombination rate constant: tert-C4H9 + tert-C4H ⇆ tert-C4H9⋯tert-C4H9 characterized by the equilibrium constant K
1 and tert-C4H9⋯tert-C4H9 → C8H18* characterized by the rate constant k
2, k
rec,∞(T) ≈ K
1
k
2. This recombination rate constant exhibits a negative temperature dependence and is proportional to T
−3/2. The agreement with experiment is very good.
Received: 2 October 2000 / Accepted: 2 May 2002 / Published online: 7 August 2002 |
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| Keywords: | : tert-Butyl radical recombination |
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