Stabilities of the C-H...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 HCCl(n)F(3-)(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.
Delanoye
Sofie N
SN
University of Antwerp, Department of Chemistry, Groenenborgerlaan 171, B2020 Antwerp, Belgium.
Herrebout
Wouter A
WA
van der Veken
Benjamin J
BJ
D000096:Acetone / Q000737:chemistry*; D005027:Ethylene Oxide / Q000737:chemistry*; D008738:Methyl Ethers / Q000737:chemistry*; D008962:Models, Theoretical; D012997:Solvents; D013816:Thermodynamics
D008738:Methyl Ethers; D012997:Solvents; D000096:Acetone; C033413:dimethyl ether; D005027:Ethylene Oxide