title: Probing the coordination environment of Ti(3+) 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 Ti(3+)-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 Ti(3+)-bound (14)N nuclei are reported and discussed in the light of DFT computations, allowing for a detailed description of the microscopic structure of these systems.
authors.affiliation: Dipartimento di Chimica, University of Torino Via Giuria, 7-10125 Torino, Italy. mario.chiesa@unito.it.
authors.forename: E
authors.initials: E
authors.lastname: Morra
authors.forename: S
authors.initials: S
authors.lastname: Maurelli
authors.forename: M
authors.initials: M
authors.lastname: Chiesa
authors.forename: S
authors.initials: S
authors.lastname: Van Doorslaer
mesh_terms: D004578:Electron Spin Resonance Spectroscopy; D007477:Ions / Q000737:chemistry; D058115:Lewis Bases / Q000737:chemistry*; D009584:Nitrogen / Q000737:chemistry*; D009942:Organometallic Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D011789:Quantum Theory; D014025:Titanium / Q000737:chemistry*
chemical_list: D007477:Ions; D058115:Lewis Bases; D009942:Organometallic Compounds; D014025:Titanium; D009584:Nitrogen