Search Results - "THEOPOLD, Klaus H."

Synthesis, Characterization, and Reactivity of Chromium(VI) Alkylidenes by Wu, Pengcheng, Yap, Glenn P. A, Theopold, Klaus H

“…Chromium­(VI) dialkyls are remarkably acidic, yielding a set of anionic chromium alkylidenes upon deprotonation with KN­(TMS)2. We describe the…”
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Deprotonation of coordinated ethylene may start Phillips catalysis by Theopold, Klaus H.

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Chromium Mediated Reductive Coupling of Isonitrile Forms Unusual Heterocycles by Shen, Jingmei, Yap, Glenn P. A, Theopold, Klaus H

“…The quintuply bonded α-diimine chromium dimer [HLiPrCr]2 reductively couples cyclohexyl isocyanide to produce various novel nitrogen heterocycles…”
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Mechanism-based design of labile precursors for chromium(I) chemistry by Akturk, Eser S, Yap, Glenn P A, Theopold, Klaus H

“…Dinitrogen complexes of the type Tp(R,R)Cr-N2-CrTp(R,R) are not the most labile precursors for Cr(i) chemistry, as they are sterically protected from…”
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The Direct Oxidative Addition of O2 to a Mononuclear Cr(I) Complex Is Spin Forbidden by Dai, Fang, Yap, Glenn P. A, Theopold, Klaus H

“…Mononuclear chromium(I) alkyne complex (i-Pr2Ph)2nacnacCr(η2-C2(SiMe3)2) (1) reacts rapidly with dioxygen to yield chromium(V) dioxo species…”
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Variable Character of O-O and M-O Bonding in Side-on (η 2) 1:1 Metal Complexes of O2 by Cramer, Christopher J., Tolman, William B., Theopold, Klaus H., Rheingold, Arnold L.

“…The structures and the O-O and M-O bonding characters of a series of reported side-on (η2) 1:1 metal complexes of O2 are analyzed by using density functional…”
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C−H Bond Activations by Metal Oxo Compounds by Gunay, Ahmet, Theopold, Klaus H

“…The activation of carbon-hydrogen bonds by metal oxo compounds is explored. The radical reactivity of oxo metals adds to the strength of the bond…”
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Binding and Activation of Small Molecules by Three-Coordinate Cr(I) by Monillas, Wesley H, Yap, Glenn P. A, MacAdams, Leonard A, Theopold, Klaus H

“…[(i-Pr2Ph)2nacnacCr]2(μ-η2:η2-N2) (2) has been prepared and structurally characterized; it contains a bridging side-on bonded dinitrogen ligand with a N−N…”
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Tale of Two Isomers: A Stable Phenyl Hydride and a High-Spin (S=3) Benzene Complex of Chromium by Monillas, Wesley H, Yap, Glenn P.A, Theopold, Klaus H

“…Staying put: A binuclear phenyl hydride complex of chromium resists benzene formation by reductive elimination, even though the isomeric μ‐η6:η6 benzene…”
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Synthesis, Characterization, and Electronic Structure of Diimine Complexes of Chromium by Kreisel, Kevin A, Yap, Glenn P. A, Theopold, Klaus H

“…We have prepared and structurally characterized several complexes of chromium coordinated by diimine (or 1,4-diazadiene) ligands, that is, ArNC(R)(R)CNAr…”
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Intramolecular CH Activation by an Open-Shell Cobalt(III) Imido Complex by Shay, Daniel T., Yap, Glenn P. A., Zakharov, Lev N., Rheingold, Arnold L., Theopold, Klaus H.

“…The paramagnetic CoIII imido complex 1 is stable enough to be structurally characterized by X‐ray diffraction. However, in solution a primary CH bond of the…”
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A Chromium Catalyst for the Polymerization of Ethylene as a Homogeneous Model for the Phillips Catalyst by MacAdams, Leonard A, Buffone, Gerald P, Incarvito, Christopher D, Rheingold, Arnold L, Theopold, Klaus H

“…A structurally characterized cationic chromium(III) alkyl featuring a bulky nacnac ligand catalyzes the polymerization of ethylene as well as the…”
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A Chelating N-Heterocyclic Carbene Ligand in Organochromium Chemistry by Kreisel, Kevin A, Yap, Glenn P. A, Theopold, Klaus H

“…Several chromium complexes supported by a chelating N-heterocyclic carbene ligand have been prepared in an attempt to study their ability to catalyze the…”
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Synthesis, Characterization, and Reactivity of Tris(imido)chromium(VI) Complexes by Wu, Pengcheng, Yap, Glenn P. A., Theopold, Klaus H.

“…Multiple tris(imido)chromium(VI) complexes, including neutral and ionic compounds, have been synthesized and characterized. (tBuN)2Cr(NHtBu)Cl can be…”
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Tale of Two Isomers (Continued): Is the Phenyl Hydride Complex of Chromium More Stable than Its Benzene-Bridged Isomer by Bénard, Marc, Rohmer, Marie-Madeleine, López, Xavier, Theopold, Klaus H

“…Weighing in: DFT calculations suggest that the recently characterized phenyl hydride bridged complex of chromium (see picture, left; Cr red, N blue, C dark…”
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Structure and Reactivity of Chromium(VI) Alkylidenes by Wu, Pengcheng, Yap, Glenn P. A, Theopold, Klaus H

“…Bis­(arylimido)­Cr­(VI) dialkyls lacking β-hydrogen decompose by α-hydrogen abstraction and, upon trapping with triphenylphosphine, yield isolable alkylidene…”
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Cr–Cr Quintuple Bonds: Ligand Topology and Interplay Between Metal–Metal and Metal–Ligand Bonding by Falceto, Andrés, Theopold, Klaus H, Alvarez, Santiago

“…Chromium–chromium quintuple bonds seem to be approaching the lower limit for their bond distances, and this computational density functional theory study tries…”
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Bioderived Muconates by Cross‐Metathesis and Their Conversion into Terephthalates by Saraçi, Erisa, Wang, Lan, Theopold, Klaus H., Lobo, Raul F.

“…Polyethylene terephthalate that is 100 % bioderived is in high demand in the market guided by the ever‐more exigent sustainability regulations with the…”
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A Structurally Characterized Chromium(III) Superoxide Complex Features "Side-on" Bonding by Qin, Kun, Incarvito, Christopher D., Rheingold, Arnold L., Theopold, Klaus H.

“…Binding oxygen: A four‐coordinate chromium(II) complex binds O2 to yield the first structurally characterized chromium(III) superoxo complex. The superoxide…”
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Hydrogen Atom Abstraction by a Chromium(IV) Oxo Complex Derived from O2 by Qin, Kun, Incarvito, Christopher D, Rheingold, Arnold L, Theopold, Klaus H

“…The Cr(III) hydroxide [Tp tBu,MeCr(OH)(pz‘H)] BARF (1) is produced by reaction of [Tp tBu,MeCr(pz‘H)]BARF with [Tp tBu,MeCr(O2)(pz‘H)]BARF or oxygen atom…”
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