A mechanistic density functional theory study of acetylene [2+2+2] cyclotrimerization to benzene catalyzed by Rh(I) half metallocenes is presented. The catalyst fragment contains a heteroaromatic ligand, that is, the 1,2-azaborolyl (Ab) or the 3a,7a-azaborindenyl (Abi) anions, which are isostructural and isoelectronic to the hydrocarbon cyclopentadienyl (Cp) and indenyl (Ind) anions, respective...

Effects of imidazoles and substituted pyridines and pure s-donors on the oxidation of cyclooctene with NaIO4 by 5,10,15,20-tetraphenylporphyrinato-manganese(III) acetate, Mn(TPP)OAc, and 5,10,15,20-Tetramesitylporphyrinato-manganese(III) acetate, Mn(TMP)OAc, catalysts in CH2Cl2-H2O solvent are studied. Coordination of the nitrogen donors to the Mn...

ABSTRACT To study the influence of a linker rigidity and donor-acceptor properties, the P-CH2-O-CHR- fragment in acyclic nucleoside phosphonates (e.g., acyclovir, tenofovir) was replaced by the P-CH2-HN-C(O)- residue. The respective phosphonates were synthesized in good yields by coupling the straight chain of ω-aminophosphonates and nucleobase-derived acetic acids with EDC. Based on the 1H and...

A quick, efficient, one-pot method for the synthesis of substituted N-aryl lactams through the reaction of various kinds of corresponding substituted arenes with a variety of ω-azido alkanoic acid chlorides using a Lewis acid (i.e. EtAlCl(2)) at room temperature, through the in situ involvement of a Friedel-Crafts reaction followed by intramolecular Schimdt rearrangement was developed, and affo...

By using an anthryl-substituted 2,2'-bipyridine as a singlet oxygen-reactive ligand, a new class of Ru(II)-bipyridine complex derivatives that can specifically respond to singlet oxygen with remarkable phosphorescence enhancements have been successfully developed.

The first highly regioselective and general osmium-catalyzed hydroformylation of olefins to aldehydes is reported. The combination of Os3(CO)12 and imidazoyl-substituted phosphine ligands allows n-selective (up to 99%) hydroformylation of bulk aliphatic as well as functional alkenes in good yields (64-87%).

Chiral ligand-modified polyoxometalates (POMs) were successfully synthesized by the introduction of BINOL into the dititanium-substituted POM in an organic medium and characterized by X-ray crystallography, spectroscopy, and elemental analyses. These BINOL-modified POMs were stable in the solution state and showed catalytic activity for asymmetric oxidation of thioanisole.

The synthesis of 4'-CN, 5'-CN and 5'-Br substituted pyDTDA neutral radical bidentate ligands is reported (pyDTDA = 4-(2'-pyridyl)-1,2,3,5-dithiadiazolyl). The Ni(hfac)(2) and Mn(hfac)(2) coordination complexes of both cyano substituted ligands, and the Mn(hfac)(2) coordination complex of the bromo substituted ligand, have been prepared and the crystal packing of these is compared (hfac = 1,1,1,...

The direct reactions of PI(3) with -H or -C(6)H(5) substituted diiminopyridine ligands yield the N,N',N''-chelated P(I) cations. The analogous chemistry with the ubiquitous -CH(3) substituted derivative produces a complex mixture of products underscoring the importance of the substitution on the α-carbon atom. The I(3)(-) counteranion of the compounds could be easily exchanged with the more rob...