NASA Logo

NTRS

NTRS - NASA Technical Reports Server

Back to Results
A Redetermination of the Dissociation Energy of MgO(+)In 1986, we reported a dissociation energy (D(sub 0) of 2.31 eV for the X(sup 2)Pi ground state of MgO(+). This value was determined by computing the dissociation energy to the Mg(2+) + O(-) limit and adjusting the value to the Mg(+) + O limit using the experimental Ionization Potential (IP) of Mg(+) and the Electron Affinity (EA) of O. The success of this method relies on the assumption that there is little covalent contribution to the bonding. The very small (0.04 eV) correlation contribution to the binding energy was taken as corroboration for the validity of this approach. Our earlier theoretical value was estimated to be accurate to at least 0.2 eV. It is in excellent agreement with the subsequent value of 2.30 +/- 0.13 eV determined by Freiser and co-workers from photodissociation experiments. It is also consistent with the upper (less than 3.1 eV) and lower (greater than 1.1 eV) bounds determined by Rowe obtained by studying the reactions of Mg(+) with 03 and NO2. However, it is inconsistent with an upper bound of 1.7 eV reported by Kappes and Staley based on their failure to observe MgO(+) in the reaction of Mg(+) with N2O. The picture became somewhat clouded, however, by the recent guided-ion beam mass spectrometric studies of Dalleska and Armentrout. Their initial analysis of the reaction data for Mg(+) + O2 lead to a bond dissociation energy of 2.92 +/- 0.25 eV, which is considerably larger than the value of 2.47 +/- 0.06 eV deduced from their studies of the Mg(+)+NO2 reaction.
Document ID
19970012382
Acquisition Source
Ames Research Center
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Bauschlicher, Charles W., Jr.
(NASA Ames Research Center Moffett Field, CA United States)
Langhoff, Stephen R.
(NASA Ames Research Center Moffett Field, CA United States)
Partridge, Harry
(NASA Ames Research Center Moffett Field, CA United States)
Date Acquired
August 17, 2013
Publication Date
August 1, 1994
Publication Information
Publication: Journal of Chemistry and Physics
Publisher: American Inst. of Physics
Volume: 101
Issue: 3
ISSN: 0021-9606
Subject Category
Inorganic And Physical Chemistry
Report/Patent Number
NAS 1.15:112105
NASA-TM-112105
Accession Number
97N70974
Distribution Limits
Public
Copyright
Public Use Permitted.
Document Inquiry

Available Downloads

There are no available downloads for this record.
No Preview Available