TY  - JOUR
AU  - Matović, Zoran
AU  - Jeremić, Marija S.
AU  - Jelić, Ratomir
AU  - Zlatar, Matija
AU  - Jakovljević, Ivan Ž.
PY  - 2013
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1329
AB  - A new hexadentate chromium(III) complex, Na[Cr(1,3-pd3ap)]center dot 3H(2)O, containing an unsymmetrical edta-type ligand, the 1,3-propanediamine-N,N,N'-triacetate-N'-3-propionate ion (1,3-pd3ap), has been prepared, chromatographically separated and characterized. Only one [trans(O-5)] of the two possible geometrical isomers was isolated. In this isomer the two five-membered glycinate rings (R rings) occupy trans-axial sites, while the one glycinate ring and one beta-alaninate ring lie in the equatorial plane with the two diamine nitrogens (G rings). This result confirms the assignment made on the basis of Density Functional Theory (OFT), IR and UV-Vis spectral data analyses. The spectral data and electronic transition assignment, DFT-NBO, Ligand Field DFT and extensive strain analysis are discussed by a comparison with those of other [Cr(edta-type)](-) complexes of known configurations. The stoichiometry and stability of the complexes formed between the chromium(III) ion and 1,3-propanediamine-N,N,N'-triacetic-N'-propionic acid (H(4)1,3-pd3ap) were determined in aqueous solution by potentiometry at 25 degrees C and 0.1 M NaCl ionic strength. The existence of Cr(HnL), n = 0,1, 2 and 3 type complexes were verified. The formation of the Cr(OH)L complex was observed at higher pH values. The concentration distribution diagrams of the complexes were evaluated.
PB  - Oxford : Pergamon-Elsevier Science Ltd
T2  - Polyhedron
T1  - Configurational, LFDFT and NBO analysis of chromium(III) complexes of edta-type ligands
VL  - 55
SP  - 131
EP  - 143
DO  - 10.1016/j.poly.2013.02.079
ER  - 

@article{
author = "Matović, Zoran and Jeremić, Marija S. and Jelić, Ratomir and Zlatar, Matija and Jakovljević, Ivan Ž.",
year = "2013",
abstract = "A new hexadentate chromium(III) complex, Na[Cr(1,3-pd3ap)]center dot 3H(2)O, containing an unsymmetrical edta-type ligand, the 1,3-propanediamine-N,N,N'-triacetate-N'-3-propionate ion (1,3-pd3ap), has been prepared, chromatographically separated and characterized. Only one [trans(O-5)] of the two possible geometrical isomers was isolated. In this isomer the two five-membered glycinate rings (R rings) occupy trans-axial sites, while the one glycinate ring and one beta-alaninate ring lie in the equatorial plane with the two diamine nitrogens (G rings). This result confirms the assignment made on the basis of Density Functional Theory (OFT), IR and UV-Vis spectral data analyses. The spectral data and electronic transition assignment, DFT-NBO, Ligand Field DFT and extensive strain analysis are discussed by a comparison with those of other [Cr(edta-type)](-) complexes of known configurations. The stoichiometry and stability of the complexes formed between the chromium(III) ion and 1,3-propanediamine-N,N,N'-triacetic-N'-propionic acid (H(4)1,3-pd3ap) were determined in aqueous solution by potentiometry at 25 degrees C and 0.1 M NaCl ionic strength. The existence of Cr(HnL), n = 0,1, 2 and 3 type complexes were verified. The formation of the Cr(OH)L complex was observed at higher pH values. The concentration distribution diagrams of the complexes were evaluated.",
publisher = "Oxford : Pergamon-Elsevier Science Ltd",
journal = "Polyhedron",
title = "Configurational, LFDFT and NBO analysis of chromium(III) complexes of edta-type ligands",
volume = "55",
pages = "131-143",
doi = "10.1016/j.poly.2013.02.079"
}

Matović, Z., Jeremić, M. S., Jelić, R., Zlatar, M.,& Jakovljević, I. Ž.. (2013). Configurational, LFDFT and NBO analysis of chromium(III) complexes of edta-type ligands. in Polyhedron
Oxford : Pergamon-Elsevier Science Ltd., 55, 131-143.
https://doi.org/10.1016/j.poly.2013.02.079

Matović Z, Jeremić MS, Jelić R, Zlatar M, Jakovljević IŽ. Configurational, LFDFT and NBO analysis of chromium(III) complexes of edta-type ligands. in Polyhedron. 2013;55:131-143.
doi:10.1016/j.poly.2013.02.079 .

Matović, Zoran, Jeremić, Marija S., Jelić, Ratomir, Zlatar, Matija, Jakovljević, Ivan Ž., "Configurational, LFDFT and NBO analysis of chromium(III) complexes of edta-type ligands" in Polyhedron, 55 (2013):131-143,
https://doi.org/10.1016/j.poly.2013.02.079 . .