摘要
应用分子链状片断(C—C—C,C—C—C—C,C—C—C—C—C)数P_2、P_3、P_4研究了烷烃异构体系列的结构排序及其热力学性质的规律性.每个烷烃分子表达为二维平面(mP_2+P_4,P_3)上的一个点(对辛烷,m=2,壬烷m=4,癸烷m=5),沿着坐标轴方向连结相同m点,得到相应烷烃的异构体周期表.在此基础上,提出了分子异构体序数的概念,并分析了多种热力学性质的变化趋势及其对结构的依赖关系.
Paths of Length 2, 3 and 4 appear to dominate variations in isomers of alkanes when various thermodynamic properties are compared. In the present work, each isomer can be represented as a point in a two-dimensional space (mP_2+P_4, P_3) (m is 2, 4 and 5 for octanes, nonanes, and decanes respectively). By joining adjacent points which have the same m along the coordinate lines we obtain grid graphs depicting interrelations of isomers, which are defined the tables of isomeric structures. Basing on the tables, the concept, isomeric number is proposed. By replacing each of the structures on the tables with the corresponding numerical value for the selected molecular property, one could observe the regularities in the trends in a collection of isomers studied for seleoted properties.
出处
《化学学报》
SCIE
CAS
CSCD
北大核心
1993年第3期216-223,共8页
Acta Chimica Sinica