%0 Journal Article
%T Synthesis and Theoretical Study of a New Type of Pentacyclic bis-Benzothiazolium Compound
%A Pavol Zahradnik
%A Radovan Buffa
%J Molecules
%D 2002
%I MDPI AG
%R 10.3390/70700534
%X The synthesis of a new type of pentacyclic benzothiazolium compound -6,13-dihydropyrazino[2,1-b:5,4-b¡ä]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.
%K Bis-benzothiazolium salt
%K quantum chemical calculations
%K AM1
%K isomer structures
%K isodesmic reactions
%U http://www.mdpi.com/1420-3049/7/7/534