Related Experiment Video
Updated: Dec 14, 2025

Syntheses, Crystallization, and Spectroscopic Characterization of 3,5-Lutidine N-Oxide Dehydrate
Published on: April 24, 2018
Crystal structures of [(μ2-L1)di-bromidodicopper(II)] dibromide and
Tokouré Assoumatine1, Helen Stoeckli-Evans2
1Institute of Chemistry, University of Neuchâtel, Av. de Bellevax 51, CH-2000 Neuchâtel, Switzerland.
Abstract:
The reaction of the hexa-thia-pyrazino-phane ligand, 2,5,8,11,14,17-hexa-thia-[9.9](2,6,3,5)-pyrazino-phane (L1), with copper(II) dibromide led to the formation of a binuclear complex, [μ2-2,5,8,11,14,17-hexa-thia-[9.9](2,6,3,5)-pyrazino-phane]bis-[bromi-docopper(II)] dibromide, [Cu2Br2(C16H24N2S6)]Br2, (I). The complex possesses inversion symmetry with the pyrazine ring being situated about a center of symmetry. The ligand coordinates to the copper(II) atom in a bis-tetra-dentate manner and the copper atom has a fivefold NS3Br coordination environment with a distorted shape. The reaction of ligand L1 with copper(I) iodide also gave a binuclear complex, which is bridged by a Cu2I2 unit to form a two-dimensional coordination polymer, poly[[μ2-2,5,8,11,14,17-hexa-thia-[9.9](2,6,3,5)-pyrazino-phane]tetra-μ-iodido-tetra-copper(I)], [Cu4I4(C16H24N2S6)] , (II). The binuclear unit possesses inversion symmetry with the pyrazine ring being located about a center of symmetry. The Cu2I2 unit is also located about an inversion center. The two independent copper(I) atoms are both fourfold coordinate. That coordinating to the ligand L1 in a bis-tridentate manner has an NS2I coordination environment and an irregular shape, while the second copper(I) atom, where L1 coordinates in a bis-monodentate manner, has an SI3 coordination environment with an almost perfect tetra-hedral geometry. In the crystal of I, the cations and Br- anions are linked by a number of C-H⋯S and C-H⋯Br hydrogen bonds, forming a supra-molecular network. In the crystal of II, the two-dimensional coordination polymers lie parallel to the ab plane and there are no significant inter-layer contacts present.
Related Concept Videos
Coordination Number and Geometry
Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
Crystal Field Theory - Tetrahedral and Square Planar Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
Structural Isomerism
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can...
Ionic Crystal Structures
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
Metal-Ligand Bonds
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...

