31231-07-9Relevant academic research and scientific papers
Effects of Thiolate Ligation in Monoiron Hydrogenase (Hmd): Stability of the {Fe(CO)2}2+ Core with NNS Ligands
Xie, Zhu-Lin,Pennington, Doran L.,Boucher, Dylan G.,Lo, James,Rose, Michael J.
, p. 10028 - 10039 (2018)
In this work, we report the effects of NNS-thiolate ligands and nuclearity (monomer, dimer) on the stability of iron complexes related to the active site of monoiron hydrogenase (Hmd). A thermally stable iron(II) dicarbonyl motif is the core feature of th
Synthesis and structural characterization of 10 Group metal complexes with anionic tridentate S,N,N donor Schiff bases derived from pyridylbenzothiazolines
Alvarez-Hernández, Jesús-Alberto,Andrade-López, Noemí,Alvarado-Rodríguez, José G.,Vásquez-Pérez, José M.,Cruz-Borbolla, Julián,Jancik, Vojtech
, p. 169 - 179 (2017)
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, 1b·DMSO, 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.
