- 作者: Slanina, Zdenek ; 李錫隆
- 作者服務機構: 中正大學化學系
- 中文摘要: Bridging a Ge atom across the two C-C bonds in C/sub 60/ was treated according to the PM3 method. The C/sub 2v/ (6/6) closed isomer represents the ground state of the system, located 52kJ/mol below the C/sub s/ (5/6) closed structure and 97kJ/mol below the C/sub s/ (5/6) open structure. However, at high temperatures the closed 5/6 isomer becomes the most stable, whereas the ground-state structure is the least populated component under conditions of thermodynamic equilibrium, although no isomer is negligible. The applicable characteristics indicate a reasonable absolute stability of the whole system.
- 英文摘要: --
- 中文關鍵字: Thermal Interchange; Stability; Carbon 60; Ground State Structure; Thermodynamic Equilibrium
- 英文關鍵字: 熱互換;穩定性;碳-60;基態結構;熱力學平衡