Theoretical prediction on a special bridging metal–Xe–metal bond with remarkable stability in Re_2Cp

• 作 者: Nannan Liu Yihong Ding
• 机 构: ChemistryCenter,InstituteofTheoreticalChemistry
• 出 处: Science China(Chemistry)
• 发表日期: 2016年6期
• 关键词: bridging PF_3 Xe isomers remarkable dissociation corrected bonds BSSE correction

The bridging Re–Xe–Re bond with a remarkable stability is firstly predicted. The average binding energies for Re–Xe bond in Re2Cp2（PF3）4Xe with bridging Xe are calculated to be higher than that in Re Cp（CO）2Xe, Re Cp（CO）（PF3）Xe and Re Cp（PF3）2Xe with term