Author/Authors :
Zhu، نويسنده , , Weiliang and Liu، نويسنده , , Tong-Jian Shen، نويسنده , , JianHua and Luo، نويسنده , , Xiaomin and Tan، نويسنده , , Xiaojian and Puah، نويسنده , , Chum Mok and Jiang، نويسنده , , Hualiang and Chen، نويسنده , , Kaixian، نويسنده ,
Abstract :
The aromatic cation tropylium, C7H7+, predicted at the MP2/6-31G** level, is capable of binding with metal cations Be2+ or Mg2+, forming M2+–C7H7+ complexes. The obstacle for their binding is almost electrostatic repulsion, and the binding is from polarization and charge transfer. The orbital interaction between the M2+ and C7H7+ is mainly the s–π and p–π interactions. Interestingly, Be2+ is possible to pass through the ring of C7H7+, while Mg2+ is not. The intrinsic IR band of the M2+–C7H7+ complex is below 600 cm−1, which results from the vibration of the M2+ along the normal axis of C7H7+.
