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

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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.