Title

Ab Initio MO Investigation of the Gas-Phase Reaction SO₃ + H₂O → H₂SO₄

Abstract

Ab initio molecular orbital theory has been used to study the association reaction of SO₃ with H₂O to form H₂SO₄. The calculated structure and properties of H₂SO₄ agree very well with experimental results. A large barriers is found for the formation of the acid from the H₂SO₃ adduct. Implications of these results for heteromolecular nucleation are discussed.

Department(s)

Mechanical and Aerospace Engineering

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 1985 American Chemical Society (ACS), All rights reserved.

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