摘要
基于核磁共振现象定义了一个新的拓扑指数1R,研究了链烷烃的标准熵与1R及碳原子得到数N的相关性.对比发现,157个链烷烃标准熵的计算值与实验值非常吻合,分析得到的方程可用于链烷烃标准熵的估算与预测.
^1R, a new topological index based on nuclear magnetic resonance phenomenon, is defined in this paper. N means the number of carbon atom of alkane. It is discovered that the standard entropy of alkane correlates with ^1R and N. So a equation is obtained. For the standard entropies of 157 alkanes, the calculated values are in excellent agreement with the experimental values. Therefore the standard entropy of alkane will be estimated and predicted by the equation.
出处
《山东理工大学学报（自然科学版）》
CAS
2007年第4期85-88,共4页
Journal of Shandong University of Technology:Natural Science Edition
关键词
核磁共振
标准熵
烷烃
nuclear magnetic resonance
standard entropy
alkane
