| dc.creator |
Pogrebnaya, Tatiana P. |
|
| dc.creator |
Pogrebnoi, Alexander M. |
|
| dc.creator |
Kudin, Lev S. |
|
| dc.date |
2020-03-11T12:28:04Z |
|
| dc.date |
2020-03-11T12:28:04Z |
|
| dc.date |
2007-11 |
|
| dc.date.accessioned |
2022-10-25T09:24:45Z |
|
| dc.date.available |
2022-10-25T09:24:45Z |
|
| dc.identifier |
https://doi.org/10.1007/s10947-007-0161-2 |
|
| dc.identifier |
http://dspace.nm-aist.ac.tz/handle/123456789/636 |
|
| dc.identifier.uri |
http://hdl.handle.net/123456789/95740 |
|
| dc.description |
This research article published by Springer Nature Switzerland AG., 2007 |
|
| dc.description |
The geometrical parameters, normal vibration frequencies, and thermochemical characteristics of the Na2Cl+, NaCl 2−, Na3Cl 2+, and Na2Cl 3− ions in saturated vapors over sodium chloride were calculated by the ab initio methods including electron correlation. According to calculations, the Na2Cl+ and NaCl 2− triatomic ions have a linear equilibrium D ∞h configuration. The pentaatomic ions can exist in the form of the D ∞h linear isomer, C 2v planar cyclic isomer, or D 3h bipyramidal isomer. At ∼1000 K the Na3Cl 2+ and Na2Cl 3− ions exist predominantly in the form of the linear isomers. The energies and enthalpies of the ion-molecule reactions involving the above ions were calculated. The formation enthalpy of the ions Δf H 0(0 K) was determined: 230 ± 2 kJ/mol (Na2Cl+), −96 ± 4 kJ/mol (Na2Cl 3−), −616 ± 2 kJ/mol (NaCl 2−), and −935 ± 4 kJ/mol (Na2Cl 3−). |
|
| dc.format |
application/pdf |
|
| dc.language |
en |
|
| dc.publisher |
Springer Nature Switzerland AG. |
|
| dc.subject |
ions in vapors over sodium chloride |
|
| dc.subject |
geometrical configuration |
|
| dc.subject |
formation enthalpy of ions |
|
| dc.subject |
geometrical parameters |
|
| dc.title |
Theoretical study of the structure and stability of the Na2Cl+, NaCl 2−, Na3Cl 2+, and Na2Cl 3− ions |
|
| dc.type |
Article |
|