Abstract
A newly prepared Cu(II) complex salt, Cu(L1)(H2O)2Br2, where L1 is 3,14-dimethyl-2,6,13,17-tetraazatricyclo(16.4.0.07,12) docosane, is characterized by elemental and crystallographic analyses. The Cu(II) center is coordinated by four nitrogen atoms of macrocyclic ligand and the axial position by two water molecules. The macrocyclic ligand adopts an optimally stable trans-III conformation with normal Cu–N bond lengths of 2.018 (3) and 2.049 (3) Å and long axial Cu1–O1W length of 2.632 (3) Å due to the Jahn–Teller effect. The complex is stabilized by hydrogen bonds formed between the O atoms of water molecules and bromide anions. The bromide anion is connected to the neighboring complex cations and water molecules through N–H···Br and O–H···Br hydrogen bonds, respectively. The g-factors obtained from the electron spin resonance spectrum show the typical trend of g∥ > g⊥ > 2.0023, which is in a good accordance to the dx2-y2 ground state. It reveals a coordination sphere of tetragonal symmetry for the Cu(II) ion. The infrared and electronic absorption spectral properties of the complex are also discussed. Hirshfeld surface analysis represents that the H···H, H···Br/Br···H and H···O/O···H contacts are the major molecular interactions in the prepared complex.
Highlights
The mobilization of stem cell in bone marrow and anti-HIV effect by the cyclam derivatives and their transition metal complexes have been found [1,2,3,4]
We report report here here the the preparation, preparation, structural structural characterization surface analysis of a new bromide salt, [Cu(L11 )(H22O)
The uncoordinated bromide anions remain outside the coordination sphere are connected to the water molecules and complex cations through hydrogen bonds
Summary
The mobilization of stem cell in bone marrow and anti-HIV effect by the cyclam derivatives and their transition metal complexes have been found [1,2,3,4]. The knowledge on the coordination behavior and conformation of the cyclam derivative plays important role for development of novel and highly effective anti-HIV drugs. In this context, investigations on various constrained cyclam ligands (Scheme 1) containing cyclohexane subunits and methyl or ethyl groups have proved instructive. Cu(II) complexes, macrocycles adopt the most stable trans–III conformation. 2 )](ClO ) revealed cyclam example, crystallographic analysis of [Cu(L that copper(II). Ion was tetracoordinated in a crystallographic square planar configuration somewhat distorted towards. CN had a square planar geometry [16]
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