Ni(2,2':6',2''-terpyridine)₂: a high-spin octahedral formal Ni(0) complex.

Area of Science:

• Coordination Chemistry
• Inorganic Chemistry
• Materials Science

Background:

• Nickel complexes are crucial in catalysis and materials science.
• Understanding the magnetic properties of low-valent transition metal complexes is key to developing new functional materials.
• 2,2':6',2''-terpyridine (tpy) is a versatile ligand for stabilizing metal complexes.

Purpose of the Study:

• To synthesize and characterize the novel nickel(0) complex, Ni(tpy)2.
• To investigate the magnetic properties and electronic structure of Ni(tpy)2 in solid state and solution.
• To elucidate the nature of intermolecular interactions in the solid state.

Main Methods:

• Synthesis and characterization of Ni(tpy)2.
• Single crystal X-ray diffraction to determine molecular and crystal structure.
• Magnetic susceptibility measurements (SQUID magnetometry).
• Density Functional Theory (DFT) calculations.

Main Results:

• The Ni(tpy)2 complex was successfully synthesized and characterized.
• The complex exhibits octahedral geometry and is paramagnetic (S=2) in both solid and solution states.
• Crystal structure reveals dimeric arrangement with π-stacking between terpyridine ligands.
• Magnetic measurements and DFT calculations indicate temperature-dependent intermolecular antiferromagnetic coupling.

Conclusions:

• Ni(tpy)2 is a paramagnetic Ni(0) complex with a unique solid-state structure.
• Intermolecular antiferromagnetic coupling plays a significant role in the magnetic behavior of the complex in the solid state.
• The findings contribute to the understanding of magnetic interactions in coordination complexes and inform the design of novel magnetic materials.