Department of Chemistry and Biochemistry, Utah State University, Old Main Hill 0300, Logan, UT 84322-0300, USA.
Phys Chem Chem Phys. 2011 May 21;13(19):8805-10. doi: 10.1039/c1cp20359b. Epub 2011 Apr 12.
In this joint experimental and theoretical work we present a novel type of structural transition occurring in the series of C(x)B(8-x)(-) (x=1-8) mixed clusters upon increase of the carbon content from x=2 to x=3. The wheel to ring transition is surprising because it is rather planar-to-linear type of transition to be expected in the series since B(8), B(8)(-), B(8)(2-) and CB(7)(-) are known to possess wheel-type global minimum structures while C(8) is linear.
在这项联合实验和理论工作中,我们展示了 C(x)B(8-x)(-)(x=1-8)混合团簇系列中在碳含量从 x=2 增加到 x=3 时发生的一种新型结构转变。轮环转变令人惊讶,因为在该系列中预期的是平面到线性类型的转变,因为已知 B(8)、B(8)(-)、B(8)(2-) 和 CB(7)(-) 具有轮型全局最小结构,而 C(8) 是线性的。