Abstract:
Semi-empirical MNDO calculations are employed to study the protonation of chlorine nitrate, a molecule of increasing importance to the chemistry of stratospheric ozone depletion. Predictions about structural changes and charge redistributions are made. A value of 159 Kcal mor for the proton affinity of chlorine nitrate is obtained. An interesting forced dissociation of protonated chlorine nitrate into HOCI and NO +2 IS reported.
Page(s):
61-69
DOI:
DOI not available
Published:
Journal: Physical chemistry, Volume: 9, Issue: , Year: 1990