1- and 2-Adamantyl Radicals and Cations in the Gas Phase: Thermochemistry and Mass Spectrometry

C Aubry, JL Holmes, John Christopher Walton

Research output: Other contribution

24 Citations (Scopus)

Abstract

The heats of formation of the 1- and 2-adamantyl cations and of the l-adamantyl radical have been measured directly by electron impact appearance energies. The values are Delta(f)H(o)[1-adamantyl(+)] = 152 +/- 3 kcal mol(-1), Delta(f)H(o)[2-adamantyl(+)] = 171 +/- 3 kcal mol(-1) and Delta(f)H(o)[1-adamantyl'] = 12 +/- 3 kcal mol(-1). The results also lead to a value of 16 kcal mol(-1) for the heat of formation of the 2-adamantyl radical. Collision-induced dissociation mass spectra of the 1- and 2-adamantyl cations allow low internal energy ions to be distinguished. However, it is shown that at higher internal energies the two ions share a common potential energy surface. This is supported by the statistical mixing of all hydrogen and deuterium atoms, prior to the lowest energy dissociation channel, in the 1-adamantyl-3d(1)(+) isotopomer.

Original languageEnglish
Volume102
Publication statusPublished - 19 Feb 1998

Keywords

  • ENERGY
  • CARBOCATIONS
  • HEAT
  • ION
  • STABILITIES
  • ADAMANTYL
  • KINETICS
  • T-C4H9

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