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The effect of weak intermolecular interactions on the nuclear magnetic resonance shielding constant in N2 |
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| Authors: | Michał Hapka Michał Jaszuński |
| Affiliation: | 1. Faculty of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warszawa, Poland;2. Institute of Organic Chemistry, Polish Academy of Sciences, Kasprzaka 44, 01-224 Warszawa, Poland |
| Abstract: | Ab initio calculations are applied to examine the influence of the intermolecular interactions on the shielding constant in gaseous nitrogen. An accurate literature potential energy surface and the nuclear magnetic resonance shielding surface of the N2–N2 complex calculated in this work provide results in satisfactory agreement with the available experimental estimates of the effect. |
| Keywords: | intermolecular interactions NMR nitrogen molecule shielding constant |