Journal of Physical Chemistry A, Vol.109, No.43, 9836-9843, 2005
Stabilities of the C-H center dot center dot center dot O bonded complexes of the haloforms HCClnF3-n (n=0-3) with dimethyl ether, oxirane, and acetone: An experimental and theoretical study
Complexation enthalpies of the complexes of the haloforms HCClnF3-n (n = 0-3) with dimethyl ether, oxirane, and acetone have been determined in liquid krypton and/or liquid argon using infrared spectroscopy. The same quantities were derived starting from ab initio complexation energies, calculated at the MP2=FULL/aug-cc-VTZ level, and by correcting these energies for thermodynamic and solvent contributions. The two sets of data are compared and discussed.