کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1339185 | 979697 | 2010 | 4 صفحه PDF | دانلود رایگان |
The neutral gold(III) complexes AuCl3(pm) (pm = pyrimidine, 2-methylpyrimidine, 4-methylpyrimidine, 5-methylpyrimidine, 4,6-dimethylpyrimidine, 2-aminopyrimidine) have been synthesised and characterised. The proton affinity (PA) values of the free and coordinated N-heterocycles have been theoretically estimated on the basis of DFT calculations. The coordination to the AuCl3 metal fragment causes a strong lowering of the basicity of the residual protonation sites, with PA variations around −25 kcal mol−1. The lowering of PA caused by the bonding to the gold centre results related to the presence of space-demanding groups near the coordinating nitrogen atom and to the π-back donation of electron density from the metal to the protonated ligand.
Several neutral gold(III) complexes AuCl3(pm) (pm = pyrimidines) have been synthesised and characterised. The proton affinity values of the free and coordinated N-heterocycles have been theoretically estimated. The coordination to the AuCl3 metal fragment causes a strong lowering of the basicity of the residual protonation sites, which results related to the presence of space-demanding groups near the coordinating nitrogen atom and to the π-back donation of electron density from the metal to the protonated ligand.Figure optionsDownload as PowerPoint slide
Journal: Polyhedron - Volume 29, Issue 7, 10 May 2010, Pages 1833–1836