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The molecular complex [Re(equivalent toC(t)Bu)(=(CHBu)-Bu-t)((CH2Bu)-Bu-t)2] (1) reacts with a silica partially dehydroxylated at 700 degreesC to give syn-2, [(equivalent toSiO)Re(equivalent toC(t)Bu)(=(CHBu)-Bu-t)((CH2Bu)-Bu-t)], as a single isomer accord ...
The polar phosphinyl carboxamide, 1'-(diphenylphosphino)-1-[N-(2-hydroxyethyl)carbamoyl]ferrocene [I; Z = null; (1)] , reacts readily with H2O2 and elemental S to give the corresponding phosphine oxide I [Z = O (2)] and phosphine sulfide I [Z = S (3)], res ...
The size of a series of typical substituents has been probed by dynamic NMR measurements of the barriers to aryl-aryl rotation of the corresponding biphenyls. The resulting B values are meaningful because only mono-ortho substituted compounds were investig ...
Clusters of metal atoms at a fixed size can assume different structural arrangements, known as isomers, which may have nearly the same energy. Therefore at given experimental conditions distribution of these isomers can be present. While the size selection ...
A convergent synthesis of all S-configurated diastereoisomer of RP-66453 (aS,S,S,S,S,S), a peptide secondary metabolite, has been developed. The synthesis is notable for its brevity, partly because functionalized amino acids can be used directly. By combin ...
The labile cobalt (II) complex [Co(TUF)2(Pic)2] with 4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedione (TUF) bidentate and 4-methylpyridine (Pic) monodentate ligands was studied by variable temp. (VT) 19F NMR from 184 to 312 K. In contrast to the solid state, ...
Condensation of anilines with Et 4,4,4-trifluoroacetoacetate to afford the corresponding 4,4,4-trifluoro-3-oxobutaneanilides, precursors to 4-(trifluoromethyl)-2-quinolinones, can be favored and the competing condensation to produce the Et 4,4,4-trifluoro- ...
An aq. soln. of peroxynitrous acid has been studied using first-principles mol. dynamics simulations based on d. functional theory. The relative Helmholtz energies of different conformers have been detd. via thermodn. integration with constraints. At contr ...
The reactivity of (E)- and (Z)-1-fluorobuta-1,3-diene ((E)- and (Z)-11), 2-fluorobutadiene (12). (E)and (Z)-1-(fluoromethylidene)-2-methylidenecyclohexane ((E)- and (Z)-13) toward SO2 has been explored and compared with that of (Z)- and (E)-1-(fluoromethyl ...
Molecular events such as cis/trans isomerization of Xaa-Pro tertiary amide bonds in peptides and proteins are slow on the overall time scale of the formation of a final biostructure and are, therefore rate limiting. In order to pursue a better understandin ...
