Publication Type |
Journal Article |
School or College |
College of Science |
Department |
Chemistry |
Creator |
Armentrout, Peter B. |
Other Author |
Carl, D. R.; Chatterjee, B. K. |
Title |
Threshold collision-induced dissociation of Sr2+ (H2 O) x complexes (x=1-6): an experimental and theoretical investigation of the complete inner shell hydration energies of Sr2+ |
Date |
2010 |
Description |
The sequential bond energies of Sr2+(H2O)x complexes, where x=1-6, are determined by threshold collision-induced dissociation using a guided ion beam tandem mass spectrometer equipped with an electrospray ionization source. The electrospray source produces an initial distribution of Sr2+(H2O)x complexes, where x=6-9. Smaller Sr2+(H2O)x complexes, where x=1-5, are accessed using a recently developed in-source fragmentation technique that takes place in the high pressure region of a rf-only hexapole ion guide. This work constitutes the first experimental study for the complete inner shell of any multiply charged ion. The kinetic energy dependent cross sections are determined over a wide energy range to monitor all possible dissociation products and are modeled to obtain 0 and 298 K binding energies for loss of a single water molecule. These binding energies decrease monotonically for the Sr2+(H2O) complex to Sr2+(H2O)6. Our experimental results agree well with previous literature results obtained by equilibrium and kinetic studies for x=5 and 6. Because there has been limited theory for the hydration of Sr2+, we also present an in-depth theoretical study on the energetics of the Sr2+(H2O)x systems by employing several levels of theory with multiple effective core potentials for Sr and different basis sets for the water molecules. |
Type |
Text |
Publisher |
American Institute of Physics (AIP) |
Journal Title |
The Journal of Chemical Physics |
Volume |
132 |
Issue |
4 |
First Page |
44303 |
Last Page |
44301 |
DOI |
10.1063/1.3292646 |
citatation_issn |
219606 |
Language |
eng |
Bibliographic Citation |
Carl, D. R., Chatterjee, B. K., & Armentrout, P. B. (2010). Threshold collision-induced dissociation of Sr2+ (H2 O) x complexes (x=1-6): an experimental and theoretical investigation of the complete inner shell hydration energies of Sr2+. Journal of Chemical Physics, 132(4), 044303-1-12. |
Rights Management |
(c)American Institute of Physics. The following article by Carl, D. R., Chatterjee, B. K., & Armentrout, P. B. appeared in Journal of Journal of Chemical Physics, 132 (4), 2010 and may be found at doi:10.1063/1.3292646. |
Format Medium |
application/pdf |
Format Extent |
1,235,806 bytes |
Identifier |
ir-main,12288 |
ARK |
ark:/87278/s6bk1x1g |
Setname |
ir_uspace |
ID |
707376 |
Reference URL |
https://collections.lib.utah.edu/ark:/87278/s6bk1x1g |