您当前的位置: 首页 > 学术论文 > 2017年 > 正文
 
学术论文
A universal mechanism of the planar boron rotors B11-, B13+, B15+ and B19-: inner wheels rotating in pseudo-rotating outer bearings
更新时间: 2023-03-14 21:26:55 访问次数: 0

A universal mechanism of the planar boron rotors B11-, B13+, B15+ and B19- inner wheels rotating in pseudo-rotating outer bearings    

 

   Planar boron clusters B11, B13+, B15+, and B19have been intro-duced recently as molecular Wankel motors or tank treads. Here we present a universal mechanism for these dynamically fluxional clusters; that is, they are molecular rotors with inner wheels that rotate almost freely in pseudo-rotating outer bearings, analogous to rotating molecules trapped in pseudo-rotating cages. This mechanism has significant quantum mechanical consequences: the global-minimum structures of the clusters have C2v symmetry, whereas the wheels rotating in pseudo-rotating bearings generate rosette-type shapes with D9h , D10h , D11h, and D13h symmetries. The related rotational/pseudo-rotational energies appear with charac-teristic band structures, effecting the dynamics.


版权所有©山西大学分子科学研究所地址:山西省太原市小店区坞城路92号咨询电话:86-351-7010699