TY - JOUR
T1 - Cobalt(II) and nickel(II) complexes with N-benzyl- and N-(p-nitrobenzyl)iminodiacetic acids. Structural and vibrational spectroscopic characterization and DFT study
AU - Smrečki, Neven
AU - Jović, Ozren
AU - Stilinović, Vladimir
AU - Kukovec, Boris Marko
AU - Đaković, Marijana
AU - Popović, Zora
N1 - Publisher Copyright:
© 2016 Elsevier B.V.
PY - 2016
Y1 - 2016
N2 - The reactions of N-benzyliminodiacetic acid (BnidaH2) and N-(para-nitrobenzyl)iminodiacetic acid (p-NO2BnidaH2) with cobalt(II) and nickel(II) acetate in aqueous solutions were performed. Three new complexes [Co(Bnida)(H2O)3]·H2O (1a·H2O), [Co(p-NO2Bnida)(H2O)3]·½H2O (2a·½H2O) and [Ni(p-NO2Bnida)(H2O)3]·½H2O (2b·½H2O) were prepared and characterized by infrared spectroscopy and thermal analysis (TG/DTA). The molecular and crystal structures of 1a·H2O and 2b·½H2O were determined by X-ray crystallography. The octahedral coordination environments around the Co(II) ion in 1a and Ni(II) ion in 2b consist of an O,N,O′-tridentate N-arylalkyliminodiacetate ion and three water molecules, resulting in the formation of fac-isomers in both cases. The molecular geometry and infrared spectra of these three complexes, together with previously synthesized and characterized complex [Ni(Bnida)(H2O)3]·H2O (1b·H2O) are studied by DFT calculations using BP86/6-311G(d,p) and mPW1PW91/6-311G(d,p) computational model.
AB - The reactions of N-benzyliminodiacetic acid (BnidaH2) and N-(para-nitrobenzyl)iminodiacetic acid (p-NO2BnidaH2) with cobalt(II) and nickel(II) acetate in aqueous solutions were performed. Three new complexes [Co(Bnida)(H2O)3]·H2O (1a·H2O), [Co(p-NO2Bnida)(H2O)3]·½H2O (2a·½H2O) and [Ni(p-NO2Bnida)(H2O)3]·½H2O (2b·½H2O) were prepared and characterized by infrared spectroscopy and thermal analysis (TG/DTA). The molecular and crystal structures of 1a·H2O and 2b·½H2O were determined by X-ray crystallography. The octahedral coordination environments around the Co(II) ion in 1a and Ni(II) ion in 2b consist of an O,N,O′-tridentate N-arylalkyliminodiacetate ion and three water molecules, resulting in the formation of fac-isomers in both cases. The molecular geometry and infrared spectra of these three complexes, together with previously synthesized and characterized complex [Ni(Bnida)(H2O)3]·H2O (1b·H2O) are studied by DFT calculations using BP86/6-311G(d,p) and mPW1PW91/6-311G(d,p) computational model.
KW - Cobalt(II)
KW - DFT geometry and vibrational calculation
KW - Iminodiacetate
KW - IR spectroscopy
KW - Nickel(II)
KW - X-ray structure determination
UR - http://www.scopus.com/inward/record.url?scp=84982883549&partnerID=8YFLogxK
U2 - 10.1016/j.ica.2016.07.056
DO - 10.1016/j.ica.2016.07.056
M3 - Article
AN - SCOPUS:84982883549
SN - 0020-1693
VL - 453
SP - 95
EP - 103
JO - Inorganica Chimica Acta
JF - Inorganica Chimica Acta
ER -