Gurinov, Andrei A. and Denisov, Gleb S. and Borissova, Alexandra O. and Goloyeshkin, Alexander S. and Greindl, Julian and Limbach, Hans-Heinrich and Shenderovich, Ilya G. (2017) NMR Study of Solvation Effect on the Geometry of Proton-Bound Homodimers of Increasing Size. JOURNAL OF PHYSICAL CHEMISTRY A, 121 (45). pp. 8697-8705. ISSN 1089-5639,
Full text not available from this repository. (Request a copy)Abstract
Hydrogen bond geometries in the proton-bound homodimers of quinoline and acridine derivatives in an aprotic polar solution have been experimentally studied using H-1 NMR at 120 K. The reported results show that an increase of the dielectric permittivity of the medium results in contraction of the N center dot center dot center dot N distance. The degree of contraction depends on the homodimer's size and its substituent-specific solvation features. Neither of these effects can be reproduced using conventional implicit solvent models employed in computational studies. In general, the N center dot center dot center dot N distance in the homodimers of pyridine, quinoline, and acridine derivatives decreases in the sequence gas phase > solid state > polar solvent.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | HYDROGEN-BOND GEOMETRIES; ACID-BASE COMPLEXES; X-RAY-DIFFRACTION; CHEMICAL-SHIFTS; PYRIDINE-DERIVATIVES; CARBOXYLIC-ACIDS; GAS-PHASE; WATER; COLLIDINE; SOLVENT; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Organische Chemie |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 14 Dec 2018 13:19 |
| Last Modified: | 20 Feb 2019 08:15 |
| URI: | https://pred.uni-regensburg.de/id/eprint/1841 |
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