%0 Generic %A Zhao, Meng-Yao %A Wang, De-Xian %A Wang, Mei-Xiang %D 2018 %T Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State %U https://acs.figshare.com/articles/dataset/Synthesis_Structure_and_Properties_of_Corona_6_arenes_and_Their_Assembly_with_Anions_in_the_Crystalline_State/5814018 %R 10.1021/acs.joc.7b03136.s001 %2 https://ndownloader.figshare.com/files/10280526 %K novel coronarenes %K tetrazine-bearing coronarenes %K CH 2 %K DPV measurements %K heteroatom linkages %K Crystalline State %K CV %K O 4 %K anion complexation %K N 2 %K reduction potentials %K substitution reaction %K nitrogen atoms %X The synthesis, conformational structure, electronic property, and anion complexation of novel coronarenes were systematically studied. A number of corona[4]­arene[2]­tetrazines that contain different combinations of nitrogen atoms with O, S, SO2, and CH2 as bridging units were synthesized conveniently by means of a fragment coupling strategy based on efficient nucleophilic aromatic substitution reaction of easily available aromatic dinucleophiles and 3,6-dichlorotetrazine. The resulting macrocycles adopt crownlike conformational structures with the nitrogen bridge(s) forming conjugation with carbonyl and the other heteroatom linkages with tetrazine. CV and DPV measurements showed that the tetrazine-bearing coronarenes were electron deficient with reduction potentials ranging from −896 to −960 mV. Owing mainly to noncovalent anion−π attractive interactions, N2,O4-corona­[4]­arene­[2]­tetrazine formed complexes with anions of varied geometries and shapes yielding diverse assembled structures in the solid state. %I ACS Publications