Probing the coordination environment of Ti3+ ions coordinated to nitrogen-containing Lewis bases. Issue 32 (27th July 2015)

• Record Type: Journal Article
• Authors: Morra, E.; Maurelli, S.; Chiesa, M.; Van Doorslaer, S.
• Is Part Of: Physical chemistry chemical physics. Volume 17:Issue 32(2015)
• Page Start: 20853
• Page End: 20860
• Publication Date: 2015-07-27
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c5cp03417e
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : A combined EPR and DFT study on model systems reveals fingerprint 14 N hyperfine and quadrupole data to identify binding of nitrogen-containing Lewis bases to Ti(iii ). 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.