Hydrogen-Bonding Interactions of (CF3)3CH and (CF3)3C− in the Gas Phase. An Experimental (FT-ICR) and Computational Study

Guerrero, Andrés; Herrero, Rebeca; Dávalos, Juan Z.; Koppel, Ivar; Abboud, José-Luis M.; Chana, Antonio; Koppel, Ilmar A.

doi:10.1021/jp811057m.s001

Hydrogen-Bonding Interactions of (CF₃)₃CH and (CF₃)₃C⁻ in the Gas Phase. An Experimental (FT-ICR) and Computational Study

journal contribution

posted on 2009-06-11, 00:00 authored by Andrés Guerrero, Rebeca Herrero, Juan Z. Dávalos, Ivar Koppel, José-Luis M. Abboud, Antonio Chana, Ilmar A. Koppel

Hydrogen-bonding interactions involving 2-(trifluoromethyl)-1,1,1,3,3,3-hexafluoropropane (1H) and 1⁻ have been quantitatively studied by means of Fourier transform ion cyclotron resonance spectrometry. The existence of the species (1HCl)⁻ and (1H1)⁻ was demonstrated, and their thermodynamic stabilities were determined experimentally and computationally. In addition, some of their structural features were analyzed.