The reactions of hydrogen with the 14-electron high-spin iron( 1 1 ) dialkyls of stoichiometry [ FeRJdippe)] [dippe = 1,2-bis(diisopropylphosphino)ethane] have been studied. The p-methylbenzyl complex in diethyl ether yielded the zerovalent p-xylene complex [Fe(q6-C,H4Me,-1 ,4) (dippe)], where the arene ligand has been formed by addition of a hydrogen atom to the a-carbon of the p-methylbenzyl ...

The structures of five hydrogen-bonded adducts of triphenylsilanol, Ph3SiOH, with diamines have been determined. In the 4:1 adduct formed with 1,4-diazabicyclo[2.2.2]octane, (Ph3SiOH)4.C6H12N2 (I) (triclinic, P1, Z' = 2), there are two independent five-component aggregates built from O-H...N and O-H...O hydrogen bonds, in one of which the diamine exhibits orientational disorder: these two aggre...

The calix[4]arene niobium(III) complex ([L]Nb-N=N-Nb[L] where [L] = p-tert-butylcalix[4]arene), reported to bind N(2) in a μ(2)-linear dimeric capacity and to activate the N(2) triple bond to 1.39 Å, corresponding to the longest N(2) bond known in the end-on coordination mode, was subjected to a computational investigation involving both density functional and wavefunction based methods to esta...

8-Amino-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline maleate (nomifensine), an antidepressant drug, was withdrawn from the market because of increased incidence of hemolytic anemia, as well as kidney and liver toxicity. Although the nature of the potentially reactive metabolites formed after nomifensine metabolism remains unknown and no glutathione (GSH) adducts of these nomifensine reactiv...

A series of pentanuclear Ln(III) clusters, [Ln5(μ4-OH)(μ3-OH)4(L1)(acac)6] (H4L1 = p-tert-butylthiacalix[4]arene; acac = acetylacetonate; Ln = Dy, Ho, Er) and [Ln5(μ5-OH)(μ3-OH)4(L1)(L2)2(acac)2(CH3OH)2] (H3L2 = 5,11,17,23-tetrakis(1,1-dimethylethyl)-25,26,27-trihydroxy-28-methoxy thiacalix[4]arene; Ln = Dy, Ho, Er), have been synthesized based on the thiacalix[4]arene ligand. All of these comp...

Three different strategies have been followed to develop the torsional force-field parameters of the inter-ring dihedral angles for calix[4]arene-substituted poly(thiophene)s, a family of highly sensitive ion receptors. These procedures, which are based on the rotational profiles calculated using quantum mechanical methods, differ in the complexity of the model compounds and the processing appl...

The para-aminobiphenyl compound [(η(6)-C(6)H(5))(C(6)H(4)-4-NH(2))]Cr(CO)(3) (1) has an arene-phenyl dihedral angle of 38.01(6)°, as determined by single-crystal X-ray crystallography, and 34.7(11)°, as determined by DFT calculations. It undergoes haptotropic rearrangement at 140 °C in solution to form [(η(6)-C(6)H(4)-4-NH(2))(C(6)H(5))]Cr(CO)(3) (2), even though previous reports have suggested...

-Montmoril lonites saturated with small quaternary alkylammonium ions such as tetramethylammonium (TMA) or trimethylphenylammonium (TMPA) are excellent sorbents for aromatic pollutants. In some cases, water inhibits arene sorption, but the inhibition mechanism is not understood completely. The objectives of this study were to determine whether arenes interact with adsorbed TMA and TMPA ions and...

Organometallic ruthenium(II) arene complexes containing the PTA ligand ([Ru(η(6)-arene)Cl(2)(PTA)], PTA = 1,3,5-triaza-7-phosphatricyclo-[3.3.1.1]decane, termed RAPTA) show pharmacologically relevant anti-tumour properties in vitro. Two new enantiomeric pairs of RAPTA compounds, containing the chiral arene (R)- or (S)-2-phenyl-N-(1-phenylethylene)acetamide and either dichlorido or oxalato ligan...

A series of mono-cationic dinuclear have been synthesized using ((pyridi picolinamide (L2) ligands: [(h6-arene C5Me5)2M2(m-L1)Cl3]þ (M 1⁄4 Rh, 4 p-PrC6H4Me, 7; C6Me6, 8), [(h-C5Me isolated as their hexafluorophosphate IR spectroscopy. The solid state struc ray crystallographic studies. Interestin nitrogen atoms whereas the second terminal chloride ligands. Fascinatin both ruthenium centers havi...