Tunneling in the 1,5-Hydrogen Shift Reactions of 1,3-Cyclopentadiene and 5-Methyl-1,3-Cyclopentadiene

MPW1K/6-31+G(d,p) calculations which include the effects of small curvature tunneling find that, around room temperature, thermally activated tunneling dominates the 1,5-hydrogen shift reactions of 1,3-cyclopentadiene (2a) and 5-methyl-1,3-cyclopentadiene (2c). The calculated temperature dependence...

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Veröffentlicht in:	Journal of the American Chemical Society 2007-01, Vol.129 (1), p.164-168
Hauptverfasser:	Shelton, G. Robert, Hrovat, David A, Borden, Weston Thatcher
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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