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Aromatic Molecules in Anion Recognition: Electrostatics versus H-Bonding.
- Source :
-
Journal of the American Chemical Society . 10/31/2007, Vol. 129 Issue 43, p13022-13026. 5p. - Publication Year :
- 2007
-
Abstract
- Mass-selected complexes A-C6FnH6-n (A = Cl, I, SF6 n = 0-5) were studied by infrared photodissociation spectroscopy and computational chemistry methods to investigate the interaction of negative ions and aromatic molecules, in which the charge distribution can be tuned by fluorination. Surprisingly, we find that, despite positive partial charges on the carbon atoms at high levels of fluorination, all anions under study prefer hydrogen bonding to the remaining H atoms in the ligand rather than binding to the positively charged ring. Moreover, bifurcated hydrogen bonds to two neighboring OH groups are energetically favored over linear hydrogen bonds to a single OH group. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00027863
- Volume :
- 129
- Issue :
- 43
- Database :
- Academic Search Index
- Journal :
- Journal of the American Chemical Society
- Publication Type :
- Academic Journal
- Accession number :
- 27441762
- Full Text :
- https://doi.org/10.1021/ja073028k