期刊
DALTON TRANSACTIONS
卷 42, 期 12, 页码 4122-4131出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c2dt32260a
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资金
- Ministero dell'Istruzione, dell'Universita e della Ricerca (MIUR, Rome, Italy) through FIRB-futuro in ricerca [RBFR1022UQ, LR88XR]
- Fondazione Cassa di Risparmio di Perugia [2010.011.0501]
The interionic structure of four gold(I) pi-alkyne ion pairs, with general formula [((PR2R2)-R-1)Au(eta(2)-3-hexyne)]BF4 (R-1 = R-2 = Bu-t, 1a; R-1 = Bu-t, R-2 = o-diphenyl, 2a; R-1 = R-2 = 2,4,6-trimethoxyphenyl, 3a; R-1 = R-2 = 2,4-di-tert-butylphenoxy, 4a), was studied by F-19, H-1-HOESY NMR spectroscopy. In all the cases the anion locates mainly close to the alkyne, but the degree of specificity of location strongly depends on the P-ligand and it is high for ion pairs bearing poorly electron donating (PR2R2)-R-1 ligands (particularly, 4a) and low for ion pairs with strongly electron donating (PR2R2)-R-1 ones (such as 3a). This result is rationalized through relativistic DFT calculations, showing that the electronic properties of the P-ligand finely tune the charge accumulation on the alkyne and, consequently, its ability of attracting the anion.
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