Premium
Complexes of Yb 3+ with EDTA and CDTA – Molecular and Electronic Structure
Author(s) -
Janicki Rafał,
Starynowicz Przemysław,
Mondry Anna
Publication year - 2008
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.200800249
Subject(s) - chemistry , coordination sphere , ligand (biochemistry) , ion , coordination number , crystallography , crystal structure , metal , molecule , coordination complex , absorption spectroscopy , transition metal , electronic structure , inorganic chemistry , computational chemistry , organic chemistry , catalysis , biochemistry , physics , receptor , quantum mechanics
Two Yb 3+ compounds, [C(NH 2 ) 3 ] 2 [Yb(EDTA)(H 2 O) 2 ]ClO 4 · 6H 2 O and [C(NH 2 ) 3 ][Yb(CDTA)(H 2 O) 2 ] · 4H 2 O, where EDTA is the ethylenediaminetetraacetate anion and CDTA is the trans ‐1,2‐diaminecyclohexane‐ N , N , N′ , N′ ‐tetraacetate anion, were obtained and their crystal structures and spectroscopic properties were determined. In both compounds, the coordination geometries of the eight‐coordinate Yb 3+ ion are very similar. In each case, the inner sphere of the metal ion consists of four carboxyl oxygen atoms, two nitrogen atoms and two water molecules. The complexes were characterized by UV/Vis/NIR absorption at different temperatures and IR spectroscopy. The spectroscopic results revealed high sensitivity of the electronic 4f 13 configuration upon minor changes in the coordination geometry around the Yb 3+ ion. These data also demonstrate that species present in solutions of Yb 3+ –EDTA are similar to those found in the crystal, whereas in solutions of Yb 3+ –CDTA an equilibrium between at least two different forms exists. For the Yb 3+ –EDTA complex in solution and in the crystalline state, a charge‐transfer transition was detected. Theoretical calculations revealed its complicated (Yb → ligand and ligand → Yb) character.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)