The molecular structure of the tris(2-mercapto-1-tolylimidazolyl)hydroborato zinc(2-mercapto-1-tolylimidazole) complex, {[Tmp-Tol]Zn(mimp-Tol)}[ClO4]: intermolecular N–H⋯OClO3versus intramolecular N–H⋯S hydrogen bonding interactions of the mercaptoimidazole ligand
| Autor: | Kevin E. Janak, Joseph M. Tanski, Melissa M. Morlok, Gerard Parkin, Arefa Docrat |
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| Rok vydání: | 2004 |
| Předmět: | |
| Zdroj: | Dalton Trans.. :3448-3452 |
| ISSN: | 1477-9234 1477-9226 |
| DOI: | 10.1039/b412147c |
| Popis: | The molecular structure of the tris(2-mercapto-1-tolylimidazolyl)hydroborato complex {[Tmp-Tol]Zn(mimp-Tol)}[ClO4]·3MeCN has been determined by X-ray diffraction, thereby demonstrating that the mimp-Tol ligand exhibits a N–H⋯O hydrogen bond with the [ClO4]− counterion, {[Tmp-Tol]Zn(mimp-Tol)⋯(OClO3)}, rather than hydrogen bond with a sulfur of the [Tmp-Tol] ligand. DFT calculations on a series of related complexes, namely {[TmMe]Zn(mimMe)}+, {[TmMe]Zn(mimMe)}⋯(OClO3)}, {[TmMe]Zn(mimMe)}⋯[O(H)Me]}+, and {[TmMe]Zn(mimMe)}⋯(NCMe)}+ demonstrate that an intramolecular N–H⋯S hydrogen bond within {[TmMe]Zn(mimMe)}+ is also less favored than the corresponding hydrogen bonding interactions with MeCN, MeOH, and [ClO4]−. The inability of the sulfur atoms of [TmR] ligand to act as an effective hydrogen bond acceptor is in marked contrast to the ability of sulfur atoms in thiolate ligands to participate in the formation of N–H⋯S hydrogen bonds, an observation that reflects the “thione” versus “thiolate” nature of the [TmR] ligand. |
| Databáze: | OpenAIRE |
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