Tricyclopropylamine and Its Radical Cation

Angew Chem Int Ed Engl. 1999 Aug;38(16):2430-2433. doi: 10.1002/(sici)1521-3773(19990816)38:16<2430::aid-anie2430>3.0.co;2-v.

Abstract

A surprisingly high first vertical ionization energy (8.44 eV) and an unusually high oxidation potential are exibited by tricyclopropylamine (1)-in sharp contrast to triisopropylamine. These are attributed to the near-tetrahedral geometry of 1 at the N atom and the perpendicular orientation-with respect to the N-orbital axis-of the cyclopropyl groups. gamma-Irradiation of 1 led to the radical cation 1(.)(+), which, in accord with computations, has a planar C(3h)-symmetrical structure. The EPR-spectroscopic and computational results disclose a dramatic, previously not reported, conformational change on going from 1 to 1(.)(+).