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Salmon SR, de Lange KM, Lane JR. Structure and Abundance of Nitrous Oxide Complexes in Earth's Atmosphere. J Phys Chem A. 2016;120(13):2096-105doi: 10.1021/acs.jpca.5b11853.
Salmon, S. R., de Lange, K. M., & Lane, J. R. (2016). Structure and Abundance of Nitrous Oxide Complexes in Earth's Atmosphere. The journal of physical chemistry. A, 120(13), 2096-105. https://doi.org/10.1021/acs.jpca.5b11853
Salmon, Steven R, et al. "Structure and Abundance of Nitrous Oxide Complexes in Earth's Atmosphere." The journal of physical chemistry. A vol. 120,13 (2016): 2096-105. doi: https://doi.org/10.1021/acs.jpca.5b11853
Salmon SR, de Lange KM, Lane JR. Structure and Abundance of Nitrous Oxide Complexes in Earth's Atmosphere. J Phys Chem A. 2016 Apr 07;120(13):2096-105. doi: 10.1021/acs.jpca.5b11853. Epub 2016 Mar 23. PMID: 26983553.
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J Phys Chem A. 2016 Apr 07;120(13):2096-105. doi: 10.1021/acs.jpca.5b11853. Epub 2016 Mar 23.

Structure and Abundance of Nitrous Oxide Complexes in Earth's Atmosphere.

The journal of physical chemistry. A

Steven R Salmon, Katrina M de Lange, Joseph R Lane

Affiliations

  1. School of Science, Faculty of Science and Engineering, University of Waikato , Private Bag 3105, Hamilton, New Zealand.

PMID: 26983553 DOI: 10.1021/acs.jpca.5b11853

Abstract

We have investigated the lowest energy structures and binding energies of a series of atmospherically relevant nitrous oxide (N2O) complexes using explicitly correlated coupled cluster theory. Specifically, we have considered complexes with nitrogen (N2-N2O), oxygen (O2-N2O), argon (Ar-N2O), and water (H2O-N2O). We have calculated rotational constants and harmonic vibrational frequencies for the complexes and the constituent monomers. Statistical mechanics was used to determine the thermodynamic parameters for complex formation as a function of temperature and pressure. These results, in combination with relevant atmospheric data, were used to estimate the abundance of N2O complexes in Earth's atmosphere as a function of altitude. We find that the abundance of N2O complexes in Earth's atmosphere is small but non-negligible, and we suggest that N2O complexes may contribute to absorption of terrestrial radiation and be relevant for understanding the atmospheric fate of N2O.

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