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

Sofie N Delanoye; Wouter A Herrebout; Benjamin J van der Veken

doi:10.1021/jp051476d

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

J Phys Chem A. 2005 Nov 3;109(43):9836-43. doi: 10.1021/jp051476d.

Authors

Sofie N Delanoye¹, Wouter A Herrebout, Benjamin J van der Veken

Affiliation

¹ University of Antwerp, Department of Chemistry, Groenenborgerlaan 171, B2020 Antwerp, Belgium.

PMID: 16833298
DOI: 10.1021/jp051476d

Abstract

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.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Acetone / chemistry*
Ethylene Oxide / chemistry*
Methyl Ethers / chemistry*
Models, Theoretical
Solvents
Thermodynamics

Substances

Methyl Ethers
Solvents
Acetone
dimethyl ether
Ethylene Oxide