C_(60)的热力学函数与分子结构  

Thermal dynamic functions and molecular structure of C_(60)

作　　者：曹万强[1] 成元发[1] 刘俊刁[2] 幸国坤[2] 

机构地区：[1]湖北大学物理学与电子技术学院,湖北武汉430062 [2]惠州大学物理系,广东惠州516015

出　　处：《湖北大学学报（自然科学版）》2001年第1期39-43,共5页Journal of Hubei University：Natural Science

基　　金：广东省高教厅自然科学基金;湖北大学人才基金

摘　　要：在已获得的C6 0 分子取向几率与温度关系的基础上 ,考虑C6 0 晶体两种最优取向构成的双能级系统 ,探讨了C6 0 晶体的各种热力学函数在 2 6 0K温度下的表现形式 .着重分析了 87K附近二阶相变两侧热力学函数的变化规律 .根据已报道的C6 0 晶体在有序相两端点温度 87K和 2 6 0K的取向分布实验结果 ,将较高能级分子取向 (38°)的几率转化成分数值 1 6和 3 8.由热力学基本原理 ,得到了两端点温度的 38°取向分子的三维排列结构 ,并对其随温度的转变作了初步的探讨 .On the basis of knowledge about the orientational occupancies of C 60 molecule versus temperature, and considering a two-lever energy system formed by two optimal orientations in C 60 crystal, the predictive formalism of various thermodynamic functions under the temperature 260?K are investigated. The regulations of the thermodynamic functions at two sides of 87?K second transition are compared. According to reported experimental results of orientational occupancies at two edges of ordered phase 87?K and 260?K of C 60 crystal, the 38° orientational occupancies can be accurately expressed as 1/6 and 3/8. Therefore, the arrangement structure of the molecules of 38° angle orientation in three dimension at two temperatures are acquired, and the structure variation verses temperature is also simply studied.

关 键 词：双能级系统 热力学函数 分子结构 碳60 分子取向几率 二维排列结构 晶体材料 

分 类 号：O613.71[理学—无机化学]