Protonation sites in methyl nitrate and the formation of transient CH4NO3 radicals. A neutralization...
Protonation sites in methyl nitrate and the formation of transient CH4NO3 radicals. A neutralization-reionization mass spectrometric and computational study
About this item
Full title
Author / Creator
POLASEK, M and TURECEK, F
Publisher
New York, NY: Elsevier Science
Journal title
Language
English
Formats
Publication information
Publisher
New York, NY: Elsevier Science
Subjects
More information
Scope and Contents
Contents
Protonation sites in methyl nitrate (1) were evaluated computationally at the Gaussian 2(MP2) level of ab initio theory. The methoxy oxygen was the most basic site that had a calculated proton affinity of PA = 728-738 kJ mol-1 depending on the optimization method used to calculate the equilibrium geometry of the CH3O(H)-NO2+ ion (2+). Protonation a...
Alternative Titles
Full title
Protonation sites in methyl nitrate and the formation of transient CH4NO3 radicals. A neutralization-reionization mass spectrometric and computational study
Authors, Artists and Contributors
Author / Creator
Identifiers
Primary Identifiers
Record Identifier
TN_cdi_proquest_miscellaneous_1859316290
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_miscellaneous_1859316290
Other Identifiers
ISSN
1044-0305
E-ISSN
1879-1123
DOI
10.1016/S1044-0305(00)00106-9
