黄宇飞, 刘合超. 若干类芳香族化合物的改良Sombor指数[J]. 华南师范大学学报(自然科学版), 2021, 53(4): 91-99. doi: 10.6054/j.jscnun.2021063
引用本文: 黄宇飞, 刘合超. 若干类芳香族化合物的改良Sombor指数[J]. 华南师范大学学报(自然科学版), 2021, 53(4): 91-99. doi: 10.6054/j.jscnun.2021063
HUANG Yufei, LIU Hechao. On the Modified Sombor Indices of Some Aromatic Compounds[J]. Journal of South China Normal University (Natural Science Edition), 2021, 53(4): 91-99. doi: 10.6054/j.jscnun.2021063
Citation: HUANG Yufei, LIU Hechao. On the Modified Sombor Indices of Some Aromatic Compounds[J]. Journal of South China Normal University (Natural Science Edition), 2021, 53(4): 91-99. doi: 10.6054/j.jscnun.2021063

若干类芳香族化合物的改良Sombor指数

On the Modified Sombor Indices of Some Aromatic Compounds

  • 摘要: Sombor指数族(普通Sombor指数、约化Sombor指数和改良Sombor指数等)在模拟烷烃的熵和蒸发焓方面显示出良好的预测和判别能力, 可应用于化合物热力学性质的模拟, 具有重要的化学应用价值. 针对4类常见的芳香族化合物——随机苯链、随机聚苯链、随机亚苯基链和随机斯皮罗链, 通过递归计算的方式研究了改良Sombor指数的数学期望, 进而分别给出了这4类芳香族化合物的改良Sombor指数的极值与极图刻画.

     

    Abstract: The family of Sombor indices(Sombor index, reduced Sombor index, modified Sombor index, etc.) show satisfactory predictive and discriminative potential in modeling entropy and enthalpy of vaporization of alkanes. The results of testing the predictive potential of the family of Sombor indices indicate that these descriptors may be successfully applied to modeling thermodynamic properties of compounds and have important value for chemical application. The expected values of the modified Sombor indices of four kinds of common polycyclic aromatic compounds—(random) hexagonal chains, (random) polyphenyl chains, (random) phenylene chains and (random) spiro chains are studied with recursive calculation. Furthermore, the extremal values and extremal graphs of the modified Sombor indices for these four kinds of polycyclic aromatic compounds are characterized respectively.

     

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