Syntheses, structures and catalytic properties of ruthenium(II) nitrosyl complexes with bidentate and tetradentate Schiff base ligands

DFT Provides Insight into the Additive-Free Conversion of Aqueous Methanol to Dihydrogen Catalyzed by [Ru(trop2dad)]: Importance of the (Electronic) Flexibility of the Diazadiene Moiety

“…Li and Hall showed examples where the simplified atom model underestimates the TS barriers. 15 Our own calculations show that there are also cases where the simplified model overestimates the TS barriers (see Supporting Information ). This comparative study therefore reveals that the use of simplified models of the catalyst leads to unsystematic errors and shows that a full-atom treatment is essential.…”

“…Further analysis (see Supporting Information) shows that the complexation of methanol over complex 1 and the TS for dehydrogenation of MeOH ( TS-1-CH 3 OH ) are not described satisfactorily by the simplified atom model either. Li and Hall showed examples where the simplified atom model underestimates the TS barriers . Our own calculations show that there are also cases where the simplified model overestimates the TS barriers (see Supporting Information).…”

“… 14 They found that dehydrogenation of complex 2 proceeds via a very high barrier at a transition state (TS) of >50 kcal mol –1 . For that reason, they proposed an alternative pathway that involves anionic ruthenium complexes 15 1H′ – and 2 – ( Scheme 1 c). In their proposal, the first step involves transfer of the hydride ligand of complex 1H – from Ru to the dad moiety, generating complex 1H′ – .…”

Synthesis and Characterization of VO2+, Co2+, Ni2+, Cu2+ and Zn2+ Complexes of a Schiff base ligand derived from ethyl 2‐amino‐6‐ethyl‐4,5,6,7‐tetrahydrothieno[2,3‐c]pyridine‐3‐carboxylate and their Investigation as fungicide Agents

“…reported the preparation and characterization of Cu 2+ and Zn 2+ complexes of “3‐methoxy propylimino) methyl)‐6‐methoxyphenol” and reported studies related to their capability to DNA binding, DNA cleavage . Numerous of Schiff base complexes show superb catalytic behavior in numerous dissimilar reactions particularly at elevated temperature and in dampness …”

Ruthenium-nitrosyl complexes as NO-releasing molecules, potential anticancer drugs, and photoswitches based on linkage isomerism

“…The most common synthetic routes to ruthenium nitrosyl complexes include: (a) the use of specific starting materials, which already contain the ruthenium nitrosyl moiety, via a variety of substitution reactions (NO 2 by Cl, 27 NH 3 , 28,29 pyridines, [29][30][31][32][33] pyrazine; 34 NO 3 by H 2 O, F; 35 OH by F; 22,36,37 Cl by pyridines, [38][39][40] tetradentate Schiff bases, 41,42 tetradentate 2-hydroxybenzamidobenzene derivatives, 43 bis-phosphine monoxide ligands; 44 H 2 O by Cl, 45 SO 4 ; 46 NH 3 by Cl 46 ) or metathesis reactions of Na + to Ba 2+ , 29 Ba 2+ to NH 4 + , 29 Cl − to ClO 4 − , 47 PF 6 − , 48 in solution and in the solid state; 45,46 (b) conversion of the coordinated nitro ligand into nitrosyl in acidic media (HCl, TFA, HFP 6 , HNO 3 ) reported for ruthenium triammine complex, 45 as well as for compounds with pyridine, bipyridine, terpyridine, phenanthroline, triazine, and indazole ligands (see references in Table 1); (c) direct reaction of ruthenium pyridine, bipyridine, terpyridine, porphyrin, corrole species (see Table 1) or ruthenium azole complexes 49 with NO via substitution reactions of labile monodentate ligands, e.g., Cl, [50][51][52][53][54] H 2 O, 55,56 DMSO...…”