Coordination Behavior of Chelidamic Acid With V-V, Ni-II, Fe-III, and Ca-II: Syntheses, X-ray Characterization and DFT Studies

摘要

abstract_textpFour new complexes of chelidamic acid (H(3)cda) in the presence of 2-aminopyrimidine (apym) or 2,4,6-triamino-1,3,5-triazine (tata) as external ligands, namely (apymH)VO2(Hcda).H2O (1), Ni(Hcda)(apym)(H2O)(2).H2O (2), (apymH)Fe(Hcda)(2) (3), and (tataH)(2)(tata)(2)Ca-2(cda)(2)(H2O)(6).H2O (4) were synthesized. X-ray diffraction analysis of 1-4 revealed the formation of 3D frameworks generally involving weak interactions (mainly H-bonds) between metal complexes of chelidamic acid, protonated or deprotonated external ligands apym or tata and co-crystallized water molecules. Some complexes present remarkable assemblies in the solid state governed by unconventional non-covalent interactions that have been analyzed by means of DFT calculations. Solution studies were also performed to fully characterize the new compounds./p/abstract_text