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Detailed Reference Information |
Tao, F., Higgins, K., Klemperer, W. and Nelson, D.D. (1996). Structure, binding energy, and equilibrium constant of the nitric acid-Water complex. Geophysical Research Letters 23: doi: 10.1029/96GL00947. issn: 0094-8276. |
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The nitric acid-water complex is studied by high level ab initio calculations. The equilibrium structure of the complex has an asymmetric doubly hydrogen-bonded ring. A strong hydrogen bond is donated by the hydroxyl group of nitric acid to the oxygen atom of water, and a much weaker hydrogen bond is donated by an OH bond of water to a second oxygen of nitric acid. The HNO3 unit in the complex is considerably distorted with the OH stretching frequency red-shifted by over 300 cm-1 from the isolated molecule and the infrared intensity enhanced by an order of magnitude. The binding energy of the complex is calculated as De=-9.5 kcal/mol. The equilibrium fraction of nitric acid complexed with water is predicted to be near 1% at the Earth's surface and falls with the increase of altitude. ¿ American Geophysical Union 1996 |
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Abstract |
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Keywords
Atmospheric Composition and Structure, Troposphere—composition and chemistry, Atmospheric Composition and Structure, Middle atmosphere—composition and chemistry |
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Publisher
American Geophysical Union 2000 Florida Avenue N.W. Washington, D.C. 20009-1277 USA 1-202-462-6900 1-202-328-0566 service@agu.org |
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