Modeling the interaction of nitrate anions with ozone and atmospheric moisture

doi:10.1088/1674-1056/24/10/103601

Abstract

The molecular dynamics method is used to investigate the interaction between one-six nitrate anions and water clusters absorbing six ozone molecules. The infrared (IR) absorption and reflection spectra are reshaped significantly, and new peaks appear at Raman spectra due to the addition of ozone and nitrate anions to the disperse water system. After ozone and nitrate anions are captured, the average (in frequency) IR reflection coefficient of the water disperse system increased drastically and the absorption coefficient fell.

Keywords: nitrate ion ozone water cluster infrared and Raman spectra

Received: 28 April 2015
Revised: 08 June 2015
Accepted manuscript online:

PACS:	36.40.Mr	(Spectroscopy and geometrical structure of clusters)
	36.20.Ng	(Vibrational and rotational structure, infrared and Raman spectra)
	92.70.Cp	(Atmosphere)
	92.70.Er	(Biogeochemical processes)

Corresponding Authors: A. Y. Galashev
E-mail: alexander-galashev@yandex.ru

Cite this article:

A. Y. Galashev Modeling the interaction of nitrate anions with ozone and atmospheric moisture 2015 Chin. Phys. B 24 103601

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