화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.117, No.6, 1164-1170, 2013
Hydration Energies of Aromatic Ions in the Gas Phase
The hydration energies of aromatic ions, measured by using energy-resolved collision-induced dissociation measurements, are reported. The hydration energies of protonated acetophenone, aniline, anisole, benzene, benzonitrile, phenol, and toluene are 0.67 +/- 0.04, 0.62 +/- 0.04, 0.86 +/- 0.04, 0.46 +/- 0.06, 0.84 +/- 0.04, 0.75 +/- 0.07, and 0.42 +/- 0.04 eV, respectively. The measured values are in good agreement with those predicted by using coupled cluster theory, provided the proper geometries of the ions and sufficient basis set were used.