Probing the coordination environment of Ti³⁺ ions coordinated to nitrogen-containing Lewis bases

Multi-frequency continuous-wave and pulsed EPR techniques are employed to investigate the coordination of nitrogen-containing ligands to Ti3+-chloro complexes. Frozen solutions of TiCl3 and TiCl3(Py)3 dissolved in nitrogen-containing solvents have been investigated together with the TiCl3(Py)3 solid-state complex. For these different systems, the hyperfine and nuclear quadrupole data of Ti3+-bound 14N nuclei are reported and discussed in the light of DFT computations, allowing for a detailed description of the microscopic structure of these systems.