Chen, Liuping and Gross, T. and Luedemann, Hans-Dietrich and Krienke, H. and Fischer, R. (2000) First observation of different diffusion coefficients for two conformers in a neat liquid. NATURWISSENSCHAFTEN, 87 (5). pp. 225-228. ISSN 0028-1042
Full text not available from this repository. (Request a copy)Abstract
Self-diffusion coefficients were studied for the highly polar liquid N-methylformamide at pressures up to 200 MPa between the melting pressure curves and 420 K by the spin-echo method. N-Methylformamide exists as a mixture of two conformers in the neat liquid, These conformers have large differences at lower temperatures in their dynamic and structural properties. The self-diffusion coefficient of the cis-conformer being 17% lower than that of the trans-conformer at the same T and p, This is the first observation of such an effect. The experimental study is supported by Monte Carlo (MC) calculations which show that the first neighbors around a cis conformer are arranged differently than in an all trans liquid. The difference leads in the simulations to a much lower dielectric constant for the trans-cis mixture and might also explain the retardation of diffusion for the cis conformer.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | AMIDES; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences 500 Science > 570 Life sciences |
| Divisions: | Biology, Preclinical Medicine > Institut für Biophysik und physikalische Biochemie Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 10 May 2022 10:00 |
| Last Modified: | 10 May 2022 10:00 |
| URI: | https://pred.uni-regensburg.de/id/eprint/42540 |
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