Synthesis and Theoretical Study of a New Type of Pentacyclic bis-Benzothiazolium Compound

Molecules

Pavol Zahradnik¹ 

关键词: Bis-benzothiazolium salt;    quantum chemical calculations;    AM1;    isomer structures;    isodesmic reactions.;   

DOI  :  10.3390/70700534

来源: mdpi

【 摘 要 】

The synthesis of a new type of pentacyclic benzothiazolium compound - 6,13-dihydropyrazino[2,1-b:5,4-b′]bis(1,3-benzothiazole)-7,14-diiumdibromide (2), is reported. Compound 2 was prepared by dimerization of 2-(bromomethyl)benzothiazole. Quantum chemical calculation studies have been carried out on the structures of possible isomers of 2, as well as the products of its deprotonation reactions.

【 授权许可】

Unknown   
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