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  5. Unraveling the Formation Mechanism of Subphthalocyanine.Density Functional Theory Studies

Unraveling the Formation Mechanism of Subphthalocyanine.Density Functional Theory Studies

来源 :中国化学会第四届卟啉与酞菁学术研讨会 | 被引量 : 0次 | 上传用户：ROVINZ
【摘 要】
：
A systematic investigation over the formation mechanism of the subphthalocyanine,SubPc(Cl),with phthalonitrile as the initial reagent mediated by boron trichloride in the solvent of p-xylene has been
【作 者】
：
Chiming Wang Xin Chen Dongdong Qi Siwei Bi Jianzhuang Jiang 
【机 构】
：
Beijing Key Laboratory for Science and Application of Functional Molecular and Crystalline Materials
【出 处】
：
中国化学会第四届卟啉与酞菁学术研讨会
【发表日期】
：
2017年10期
【关键词】
：
Subphthalocyanine DFT Reaction mechanism 
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　　A systematic investigation over the formation mechanism of the subphthalocyanine,SubPc(Cl),with phthalonitrile as the initial reagent mediated by boron trichloride in the solvent of p-xylene has been carried out on the basis of density functional theory,revealing truly a long reaction pathway containing twenty-three elementary reactions.
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