using a time-dependent-density functional theory (td-dft), configuration interaction singles (cis) and zerner’s intermediate neglect of differential overlap (zindo) methods, we have investigated the uv-visible spectra of one new intramolecular cyclization at before and after intramolecular attack. all structures were optimized at the b3lyp/6-311++g** level while uv-visible parameters were calcul...

An enantioselective sulfimidation of 3-thiosubstituted 2-quinolones and 2-pyridones was achieved with a stoichiometric nitrene source (PhI=NNs) silver-based catalyst system. Key to the success reaction is use chiral phenanthroline ligand hydrogen bonding site. The enantioselectivity does not depend on size two substituents at sulfur atom but only binding properties heterocyclic lactams. A total...

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The hydroxylation of aromatic compounds by mononuclear nonheme iron(IV)-oxo complexes, [FeIV(Bn-tpen)(O)]2+ (Bn-tpen=N-benzyl-N,N',N'-tris(2-pyridylmethyl)ethane-1,2-diamine) and [FeIV(N4Py)(O)]2+ (N4Py=N,N-bis(2-pyridylmethyl)-N-bis(2-pyridyl)methylamine), has been investigated by a combined experimental and theoretical approach. In the experimental work, we have performed kinetic studies of t...