Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1404675 | Journal of Molecular Structure | 2006 | 9 Pages |
Abstract
In the hydrogen-bonded complex between two HCl molecules and one methanol unit, there are two isomers with similar energies. A cyclic isomer profits from hydrogen bond cooperativity, whereas a converging structure, in which both HCl molecules bind to the lone pairs of methanol, profits from the good acceptor quality of methanol. The latter compensates for anticooperative three-body forces, which arise from the competition of the HCl units for acceptor electron density. This theoretical prediction is supported by FT-IR spectra of supersonic jet expansions, in which both mixed trimers are tentatively assigned along with the mixed dimer of HCl and methanol based on their O–H and Cl–H stretching bands.
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Marcus Weimann, Michal Fárník, Martin A. Suhm, M.E. Alikhani, Joanna Sadlej,