| Autor: |
Abdeladim Guermoune, Hafid Anane, Soufiane El Houssame, Ignacio Nebot-Gil, Francisco Tomás, Abdelali El Guerraze, Abedellah Jarid, Abderrahim Boutalib |
| Jazyk: |
angličtina |
| Rok vydání: |
2008 |
| Předmět: |
|
| Zdroj: |
Open Chemistry, Vol 6, Iss 3, Pp 400-403 (2008) |
| ISSN: |
2391-5420 |
| Popis: |
The complexation energies of H3BNHnCl3−n (n= 3-0) complexes and the proton affinities of NHnCl3−n compounds have been computed at the G2(MP2) level of theory. G2(MP2) results show that the successive chlorine substitution on the ammonia decreases both the basicity of the NHnCl3−n ligands and the stability of H3BNHnCl3−n complexes. The findings are interpreted in terms of the rehybridisation of the nitrogen lone-pair orbital. The NBO partitioning scheme shows that the variation of the N-H and N-Cl bond lengths, upon complexation, is due to variation of “s” character in these bonds. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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