Redetermination of Zero-Field Splitting in [Co(qu)2Br2] and [Ni(PPh3)2Cl2] Complexes

Abstract

A mononuclear CoII complex, [Co(qu)2Br2], and NiII complex, [Ni(PPh3)2Cl2], (qu = quinoline, PPh3 = triphenylphosphine) have been reinvestigated. Their crystal and molecular structures are reported along with IR and UV-Vis spectra. Magnetism of both complexes has been studied by using the DC SQUID magnetometry. These complexes exhibit a moderate magnetic anisotropy expressed by zero-field splitting parameter D. The D-value is positive for both complexes with D/hc = +5.94 cm-1 and D/hc = +12.76 cm-1, that is also confirmed by ab initio calculations.