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

Abstract

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.