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Iron(III) complexes with 2-aminobenzothiazole: compounds governed by non-covalent interactions |
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| Abstract: | Two new iron(III) coordination compounds with 2-aminobenzothiazole have been prepared and identified as (C6H4NHC(NH2)S)2[FeCl4]Cl(H2O) (1) and (C6H4NHC(NH2)S)3[Fe(C2O4)3](H2O)2 (2). The compounds were characterized by thermogravimetric analysis in conjunction with evolved gases in air and spectroscopic studies. On the basis of quantum-mechanical calculations the interplay between two non-covalent interactions in 1, anion?···?π and ion-pair interactions, was analyzed. |
| Keywords: | 2-Aminobenzothiazolium Anion-π interactions Bond-valence method NBO analysis Thermal decomposition |