Abstract
Relativistic SCC-DS-DVM calculations have been done for the series of molecules MBr{sub 5}, where M = Nb, Ta, Pa, and element 105, Ha. The electronic structure data show that the trends within the group 5 pentabromides resemble those for the corresponding pentaclorides with the latter being more ionic. Estimation of the volatility of group 5 bromides has been done on the basis of the molecular orbital calculations. According to the results of the theoretical interpretation HaBr{sub 5} should be more volatile than NbBr{sub 5} and TaBr{sub 5}. (orig.).
Pershina, V;
Sepp, W D;
Fricke, B;
Kolb, D;
[1]
Ionova, G V;
[2]
Schaedel, M
- Kassel Univ. (Germany). Theoretical Physics Dept.
- Academy of Sciences, Moscow (USSR). Inst. of Physical Chemistry
Citation Formats
Pershina, V, Sepp, W D, Fricke, B, Kolb, D, Ionova, G V, and Schaedel, M.
Relativistic effects in physics and chemistry of element 105. Pt. 2. Electronic structure and properties of group 5 elements bromides.
Germany: N. p.,
1992.
Web.
Pershina, V, Sepp, W D, Fricke, B, Kolb, D, Ionova, G V, & Schaedel, M.
Relativistic effects in physics and chemistry of element 105. Pt. 2. Electronic structure and properties of group 5 elements bromides.
Germany.
Pershina, V, Sepp, W D, Fricke, B, Kolb, D, Ionova, G V, and Schaedel, M.
1992.
"Relativistic effects in physics and chemistry of element 105. Pt. 2. Electronic structure and properties of group 5 elements bromides."
Germany.
@misc{etde_10143601,
title = {Relativistic effects in physics and chemistry of element 105. Pt. 2. Electronic structure and properties of group 5 elements bromides}
author = {Pershina, V, Sepp, W D, Fricke, B, Kolb, D, Ionova, G V, and Schaedel, M}
abstractNote = {Relativistic SCC-DS-DVM calculations have been done for the series of molecules MBr{sub 5}, where M = Nb, Ta, Pa, and element 105, Ha. The electronic structure data show that the trends within the group 5 pentabromides resemble those for the corresponding pentaclorides with the latter being more ionic. Estimation of the volatility of group 5 bromides has been done on the basis of the molecular orbital calculations. According to the results of the theoretical interpretation HaBr{sub 5} should be more volatile than NbBr{sub 5} and TaBr{sub 5}. (orig.).}
place = {Germany}
year = {1992}
month = {Jan}
}
title = {Relativistic effects in physics and chemistry of element 105. Pt. 2. Electronic structure and properties of group 5 elements bromides}
author = {Pershina, V, Sepp, W D, Fricke, B, Kolb, D, Ionova, G V, and Schaedel, M}
abstractNote = {Relativistic SCC-DS-DVM calculations have been done for the series of molecules MBr{sub 5}, where M = Nb, Ta, Pa, and element 105, Ha. The electronic structure data show that the trends within the group 5 pentabromides resemble those for the corresponding pentaclorides with the latter being more ionic. Estimation of the volatility of group 5 bromides has been done on the basis of the molecular orbital calculations. According to the results of the theoretical interpretation HaBr{sub 5} should be more volatile than NbBr{sub 5} and TaBr{sub 5}. (orig.).}
place = {Germany}
year = {1992}
month = {Jan}
}