| Autor: |
Haman Tavakkoli, Abolghasem Farhadipour |
| Jazyk: |
angličtina |
| Rok vydání: |
2016 |
| Předmět: |
|
| Zdroj: |
Arabian Journal of Chemistry, Vol 9, Iss S1, Pp S361-S372 (2016) |
| Druh dokumentu: |
article |
| ISSN: |
1878-5352 |
| DOI: |
10.1016/j.arabjc.2011.05.001 |
| Popis: |
The intramolecular O–H···O resonance-assisted hydrogen bonds in crystal structures of mononuclear gallium (III) complexes with salicylaldoximes are investigated. The molecular structures of these compounds were taken from X-ray crystal structures and further used to perform theoretical calculations at B3LYP/6-311G(d, p) level. The geometrical parameters of O–H···O intramolecular H-bonds were analyzed. The natural bond orbital theory (NBO) and the atoms in molecules theory (AIM) were also applied to get a more precise insight into the nature of such H-bond interactions. The bond critical points and the ring critical points were determined and their characteristics were also analyzed. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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