Chad L Beddie

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We report the development of a new fluorescence sensor for reactive oxygen species (ROS) based on a benzofurazan structure. The sensor, NBFhd, is initially non-fluorescent and reacts with peroxyl radicals by hydrogen transfer in an aqueous medium under neutral conditions to release the fluorescent N-methyl-4-amino-7-nitrobenzofurazan (NBF) and(More)
The mechanism of ethylene hydrosilation catalyzed by the ruthenium silylene cation [Cp*(P(i-Pr)3)Ru(H)2(SiH2)-OEt2]+ has been investigated with B3LYP density functional theory. Calculations using the model cation [Cp(PH3)Ru(H)2(SiH2)-OMe2]+ indicate that the most favorable catalytic cycle is the new mechanism proposed by Glaser and Tilley that involves(More)
Density functional theory calculations were used to examine the role of the urease model complex [Ni2(bdptz)(micro-OH)(micro-H2O)(H2O)2](OTs)3(bdptz=1,4-bis(2,2'-dipyridylmethyl)-phthalazine; OTs=tosylate) in the degradation of urea. An elimination mechanism that converts urea to ammonium cyanate was investigated in detail. The lowest energy pathway(More)
The syntheses of tantalum derivatives with the potentially tridentate diamido-N-heterocyclic carbene (NHC) ligand are described. Aminolysis and alkane elimination reactions with the diamine-NHC ligands, (Ar)[NCN]H(2) (where (Ar)[NCN]H(2) = (ArNHCH(2)CH(2))(2)(C(3)N(2)); Ar = Mes, p-Tol), provided complexes with a bidentate amide-amine donor configuration.(More)
Addition of bulky primary silanes to the osmium benzyl compound, Cp*(iPr3P)OsCH2Ph, afforded two neutral hydrogen-substituted silylene complexes via activation of two Si-H bonds. These species have been structurally characterized, and their reactivity has been examined experimentally and computationally. Comparison of these neutral silylene complexes with(More)
Two new compounds PtRe3(CO)12(PBut3)(micro-H)3, 9, and PtRe2(CO)9(PBut3)(micro-H)2, 10, were obtained from the reaction of Pt(PBut3)2 with Re3(CO)12(micro-H3), 8, at room temperature. Compound 9 contains a butterfly cluster of four metals formed by the insertion of the platinum atom from a Pt(PBut3) group into one of the hydride-bridged metal-metal bonds of(More)
A series of density functional theory (DFT) and wave function theory (WFT) methods were used in conjunction with a series of basis sets to investigate the influence of the computational methodology on the relative energies of key intermediates and transition states in potential reaction pathways in ruthenium-silylene-catalyzed hydrosilylation reactions. A(More)
The first silylyne complex of a metal beyond group 6, [Cp*((i)Pr3P)(H)Os≡Si(Trip)][HB(C6F5)3], was prepared by a new synthetic route involving hydride abstraction from silicon. NMR and DFT computations support the presence of a silylyne ligand, and NBO and ETS-NOCV analysis revealed the nature of this Os-Si interaction as a triple bond consisting of a(More)
The compound Pt3Re2(CO)6(PBut3)3, 1, was obtained from the reaction of Re2(CO)10 with Pt(PBut3)2 in octane solvent at reflux. Compound 1 consists of a trigonal bipyramidal cluster of five metal atoms with three platinum atoms in the trigonal plane and the two rhenium atoms in the apical positions. The metal cluster is formally unsaturated by 10 electrons.(More)
Catalytic dehydrocoupling of phosphines was investigated using the anionic zirconocene trihydride salts [Cp*2Zr(mu-H)3Li]3 (1 a) or [Cp*2Zr(mu-H)3K(thf)4] (1 b), and the metallocycles [CpTi(NPtBu3)(CH2)4] (6) and [Cp*M(NPtBu3)(CH2)4] (M=Ti 20, Zr 21) as catalyst precursors. Dehydrocoupling of primary phosphines RPH2 (R=Ph, C6H2Me3, Cy, C10H7) gave both(More)