TY - JOUR
T1 - Copper(II) perchlorate complexes with N-arylalkyliminodiacetamide ligands
T2 - X-ray structural, vibrational spectroscopic, DFT and thermogravimetric studies
AU - Smrečki, Neven
AU - Stilinović, Vladimir
AU - Jović, Ozren
AU - Kukovec, Boris Marko
AU - Popović, Zora
N1 - Publisher Copyright:
© 2017 Elsevier B.V.
PY - 2017/1/1
Y1 - 2017/1/1
N2 - The reactions of N-arylalkyl derivatives of iminodiacetamide (Bnimda, Peimda, Ppimda; Bn = benzyl, Pe = 2-phenylethyl; Pp = 3-phenylprop-1-yl) with copper(II) sulfate and sodium perchlorate in aqueous solutions were investigated. Three new copper(II) complexes [Cu(Bnimda)2](ClO4)2(1), [Cu(Peimda)2](ClO4)2(2) and [Cu(Ppimda)2](ClO4)2·2H2O (3) were prepared and characterized by infrared spectroscopy and thermal analysis (TG/DTA). Complex 2 was found to be explosive upon heating. The octahedral coordination environments around the copper(II) ions in complexes 1 and 3 consist of two O,N,O′-tridentate N-arylalkyliminodiacetamide ligands, with imino N atoms in trans-position. Molecules are interconnected by extensive hydrogen bonding between the amide moieties and perchlorate ions or water molecules, forming 3D networks in both structures. However, the difference in the hydrophobic chain lengths leads to significant differences in the hydrogen bonding motifs in the two structures. The molecular geometry and infrared spectra of these complexes were also studied by DFT calculations using B3LYP/6-311G(d,p) computational model. The calculated spectra and molecular geometry agree very well with the experimental results despite the extensive hydrogen bonding frameworks which are present in the crystal structures of these compounds.
AB - The reactions of N-arylalkyl derivatives of iminodiacetamide (Bnimda, Peimda, Ppimda; Bn = benzyl, Pe = 2-phenylethyl; Pp = 3-phenylprop-1-yl) with copper(II) sulfate and sodium perchlorate in aqueous solutions were investigated. Three new copper(II) complexes [Cu(Bnimda)2](ClO4)2(1), [Cu(Peimda)2](ClO4)2(2) and [Cu(Ppimda)2](ClO4)2·2H2O (3) were prepared and characterized by infrared spectroscopy and thermal analysis (TG/DTA). Complex 2 was found to be explosive upon heating. The octahedral coordination environments around the copper(II) ions in complexes 1 and 3 consist of two O,N,O′-tridentate N-arylalkyliminodiacetamide ligands, with imino N atoms in trans-position. Molecules are interconnected by extensive hydrogen bonding between the amide moieties and perchlorate ions or water molecules, forming 3D networks in both structures. However, the difference in the hydrophobic chain lengths leads to significant differences in the hydrogen bonding motifs in the two structures. The molecular geometry and infrared spectra of these complexes were also studied by DFT calculations using B3LYP/6-311G(d,p) computational model. The calculated spectra and molecular geometry agree very well with the experimental results despite the extensive hydrogen bonding frameworks which are present in the crystal structures of these compounds.
KW - Copper(II) complexes
KW - Crystal structure
KW - DFT geometry and vibrational calculation
KW - Hydrogen bond motifs
KW - Iminodiacetamide
KW - IR spectroscopy
UR - http://www.scopus.com/inward/record.url?scp=85015394164&partnerID=8YFLogxK
U2 - 10.1016/j.ica.2017.03.011
DO - 10.1016/j.ica.2017.03.011
M3 - Article
AN - SCOPUS:85015394164
SN - 0020-1693
VL - 462
SP - 57
EP - 63
JO - Inorganica Chimica Acta
JF - Inorganica Chimica Acta
ER -