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Updated: Jun 5, 2026

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
Published on: September 17, 2017
Microwave spectra, structure, and dynamics of the weakly bound complex, N2 CO2
Daniel J Frohman1, Edwin S Contreras, Ross S Firestone
1Department of Chemistry, Wesleyan University, Middletown, Connecticut 06043, USA.
Abstract:
The Fourier transform microwave spectra of the various isotopologs of the weakly bound complex of carbon dioxide with the most abundant molecule in the atmosphere, nitrogen, have been measured. The structure of the complex has been determined and evidence for the inversion of the N(2) is presented. The molecule is T-shaped, with the OCO forming the cross of the T, a structure consistent with that deduced from a previous rotationally resolved infrared experiment. A significant wide-amplitude bending motion of the N(2) is deduced from the values of the (nearly identical) nuclear quadrupole coupling constants of the nitrogen nuclei. The spectroscopic results are compared with high-quality ab initio calculations. We examine the consequences of the N(2) CO(2) complex formation in the atmosphere upon the greenhouse warming potential of carbon dioxide.
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