title: Structural, spectroscopic, and magnetic study of bis(9,10-dihydro-9-oxo-10-acridineacetate)bis(imidazole)bis(methanol) nickel(II).
abstract: The mixed ligand complex [Ni(CMA)2(im)2(MeOH)2] (where CMA = 9,10-dihydro-9-oxo-10-acridineacetate ion, im = imidazole) was prepared, and its crystal and molecular structure were determined. The nickel ions are hexa-coordinated by four oxygen atoms of the carboxylate and hydroxyl groups and by two imidazole nitrogen atoms, to form a distorted octahedral arrangement. The structure consists of a one-dimensional network of the complex molecules connected by strong intermolecular hydrogen bonds. The weak intermolecular C-H...X hydrogen bonds and stacking interactions make up the 2-D structure. Very strong intramolecular hydrogen bonds significantly affect the geometry and vibrational characteristics of the carboxylate group. The UV-vis-NIR electronic spectrum was deconvoluted into Gaussian components. Electronic bands of the Ni(II) ion were assigned to suitable spin-allowed transitions in the D4h symmetry environment. The single ion zero-field splitting (ZFS) parameters for the S = 1 state of Ni(II), as well as the g components, have been determined by high-field and high-frequency EPR (HF-HFEPR) spectroscopy over the frequency range of 52-432 GHz and with the magnetic fields up to 14.5 T: D = 5.77(1) cm-1, E = 1.636(2) cm-1, gx = 2.29(1), gy = 2.18(1), and gz = 2.13(1). These values allowed us to simulate the powder magnetic susceptibility and field-dependent magnetization of the complex.
authors.affiliation: Faculty of Chemistry, Wrocław University of Technology, Wybrzeze Wyspiańskiego 27, 50-370 Wrocław, Poland. danuta.dobrzynska@pwr.wroc.pl
authors.forename: Danuta
authors.initials: D
authors.lastname: Dobrzyńska
authors.forename: Lucjan B
authors.initials: LB
authors.lastname: Jerzykiewicz
authors.forename: Marek
authors.initials: M
authors.lastname: Duczmal
authors.forename: Agnieszka
authors.initials: A
authors.lastname: Wojciechowska
authors.forename: Katarzyna
authors.initials: K
authors.lastname: Jabłońska
authors.forename: Jerzy
authors.initials: J
authors.lastname: Palus
authors.forename: Andrzej
authors.initials: A
authors.lastname: Ozarowski
mesh_terms: D008280:Magnetics; D015394:Molecular Structure; D009532:Nickel / Q000737:chemistry*; D009942:Organometallic Compounds / Q000737:chemistry*; D013057:Spectrum Analysis
chemical_list: D009942:Organometallic Compounds; C516767:bis(9,10-dihydro-9-oxo-10-acridineacetate)bis(imidazole)bis(methanol) nickel(II); D009532:Nickel