Producción Científica Profesorado

Synthesis and structural characterization of 10 Group metal complexes with anionic tridentate S,N,N donor Schiff bases derived from pyridylbenzothiazolines



Andrade López, Noemí

2017

Synthesis and structural characterization of 10 Group Metal complexes with anionic tridentate-S,N,N donor Schiff bases derived from pyridylbenzothiazolines. Jesús-Alberto Alvarez-Hernández, Noemí Andrade-López*, José G. Alvarado-Rodríguez,, José M. Vásquez-Pérez, Julián Cruz-Borbolla, Vojtech Jancik. Polyhedron 135 (2017) 169-179. doi:10.1016/j.poly.2017.07.004


Abstract


The ring opening transformation of three substituted 2-(2-pyridyl)benzothiazolines of general formula [(C6H4NCS)(C5H4 N)R] (R = C5H4N, 1; R = C6H5, 2; R = H, 3) was studied by their reaction with metal chlorides of Ni(II), Pd(II), and Pt(II). In these reactions, the anionic tridentate Schiff bases {Ln}? coordinated to metal ions were identified. Seven metallic complexes of type [M(Ln)Cl] [M = Pd, n = 1, R = C5H4N, (1a); n = 2, R = C6H5, (2a); n = 3, R = H, (3a). M = Pt, n = 1, R = C5H4N, (1b); n = 2, R = C6H5, (2b); n = 3, R = H, (3b), and M = Ni, R = C6H5, (2c)] were characterized in solution by NMR and vibrational spectroscopy in solid state. Crystal structures of benzothiazolines 1 and 2 and complexes 1a?3a, 1bDMSO, and 2c were analyzed by X-ray diffraction studies. In all cases, mononuclear complexes with a distorted square planar geometry were obtained. For compounds 1?3, the predominance of the benzothiazoline (ring form) over the Schiff base (open form) as well as the formation of the [Pd(Ln)Cl] (n = 1?3) complexes were studied by DFT calculations at the PBEPBE/(Def2-TZVP,SDD) level in gas phase.



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