Author/Authors :
He، نويسنده , , Lingyan and Cheng، نويسنده , , Jiagao and Wang، نويسنده , , Tao and Li، نويسنده , , Caimei and Gong، نويسنده , , Zhen and Liu، نويسنده , , Hong and Zeng، نويسنده , , Bu-Bing and Jiang، نويسنده , , Hualiang and Zhu، نويسنده , , Weiliang، نويسنده ,
Abstract :
The complexes formed by cyclooctatetraene (COT) and alkaline earth metals were theoretically studied but without convincible experimental evidence. To validate very strong cation–π interaction in the complexes, the NMR properties are experimentally recorded and theoretically calculated in this study. The good agreement between the recorded 13C NMR data and all the calculated results, including NMR chemical shift, interaction distances and strength, and atomic charge in DMSO at different theoretical levels by PCM method, strongly indicates that the complexes between COT and alkaline earth metal atoms do exist via strong cation–π interaction.
