| dc.creator |
Costa, Rene |
|
| dc.creator |
Pogrebnaya, Tatiana P. |
|
| dc.creator |
Pogrebnoi, Alexander M. |
|
| dc.date |
2020-03-11T08:49:15Z |
|
| dc.date |
2020-03-11T08:49:15Z |
|
| dc.date |
2015-03-05 |
|
| dc.date.accessioned |
2022-10-25T09:24:36Z |
|
| dc.date.available |
2022-10-25T09:24:36Z |
|
| dc.identifier |
10.1109/SCAT.2014.7055136 |
|
| dc.identifier |
http://dspace.nm-aist.ac.tz/handle/123456789/627 |
|
| dc.identifier.uri |
http://hdl.handle.net/123456789/95609 |
|
| dc.description |
This research article published by IEEE, 2015 |
|
| dc.description |
The properties of Rb 2 I + , RbI 2 - , Rb 3 I 2 + and Rb 2 I 3 - ions were studied using two quantum chemical methods, DFT and Møller-Plesset perturbation theory of the 2 nd order. The effective core potential with Def2-QZVP basis set for rubidium atom and SDB-aug-cc-pVTZ basis set for iodine atom were used. According to the results, the equilibrium geometric structure of the triatomic ions was found to be linear of D ∞h symmetry. For the pentaatomic ions, the three isomeric forms were found: the linear (D ∞h ), the kite-shaped (C 2v ), and the bipyramidal (D 3h ), both for the positive and negative ions. For all species, the equilibrium geometric parameters and vibrational spectra have been determined. |
|
| dc.format |
application/pdf |
|
| dc.language |
en |
|
| dc.publisher |
IEEE |
|
| dc.subject |
rubidium iodide |
|
| dc.subject |
positive and negative cluster ions |
|
| dc.subject |
quantum chemical computation |
|
| dc.subject |
geometric structure |
|
| dc.subject |
vibrational spectra |
|
| dc.title |
Structure and vibrational spectra of cluster ions over rubidium iodide by computational chemistry |
|
| dc.type |
Article |
|