Premium
Coordination Behavior of Chelidamic Acid With V V , Ni II , Fe III , and Ca II : Syntheses, X‐ray Characterization and DFT Studies
Author(s) -
Mahjoobizadeh Milad,
Mirzaei Masoud,
Bauzá Antonio,
Lippolis Vito,
Aragoni M. Carla,
Shamsipur Mojtaba,
Ghanbari Manoochehr,
Frontera Antonio
Publication year - 2016
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.201600150
Subject(s) - deprotonation , protonation , crystallography , chemistry , molecule , x ray crystallography , hydrogen bond , stereochemistry , metal , diffraction , physics , ion , organic chemistry , optics
Four 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 ( apym H)[VO 2 (H cda )]⋅H 2 O ( 1 ), [Ni(H cda )( apym )(H 2 O) 2 ]⋅H 2 O ( 2 ), ( apym H)[Fe(H cda ) 2 ] ( 3 ), and ( tata H) 2 ( tata ) 2 [Ca 2 ( cda ) 2 (H 2 O) 6 ]⋅H 2 O ( 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 noncovalent interactions that have been analyzed by means of DFT calculations. Solution studies were also performed to fully characterize the new compounds.