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本文用SCF-MO法,对可能具有平面四配位碳原子构型的有机分子,1,1-二锂环丙烷和1,1-二锂-2,2,3,3-四甲基环丙烷进行了研究,并讨论了它们的二聚体的聚合方式,预言了二聚体可能具有的结构。CNDO/2计算结果表明,具有平面四配位碳原子的1,1-二锂环丙烷和1,1-锂-2,2,3,3-四甲基环丙烷分子比对应它们的具有四面体四配位碳原子构型的分子稳定。本结论与John.B.Collins等人的结论一致。在理论上说明和支持了平面四配位碳原子存在是可能的。
In this paper, the SCF-MO method is used to study the potential applications of organic molecules with the planar four-coordinate carbon atom configuration, 1,1-dilithium cyclopropane and 1,1-dilithio-2,2,3,3-tetramethylcyclohexane Propane were studied, and their dimer polymerization was discussed, predicting the possible structure of the dimer. The calculation results of CNDO / 2 show that the molecular ratio of 1,1-dilithiocyclopropane and 1,1-lithium-2,2,3,3-tetramethylcyclopropane with planar tetracoordinated carbon atoms corresponds to their molecular structure with four sides Molecular coordination of four-coordinated carbon atoms. This conclusion is consistent with the conclusion of John B. Collins et al. It is possible to theoretically explain and support the existence of planar tetracoordinated carbon atoms.