Výsledky vyhledávání

Dinuclear Influence on the Mechanism, Reactivity, and Selectivity During Rh-Al Catalyzed Aryl Ether C-O Bond Reduction/Defunctionalization

Autor: Daniel Ess, Jugal Kumawat, Iran Macias

Dinuclear metal complexes with a direct metal-metal interaction have the potential for unique mechanisms, intermediates, and selectivity during catalysis. Here we report density functional theory (DFT) calculations that directly evaluate the influenc

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::e3fb28752d6639f7dc6c3c7b27ae2448
https://doi.org/10.26434/chemrxiv-2023-v4b8f

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Exploring Cuneanes as Benzene Isosteres and Energetic Materials: Scope and Mechanistic Investigations into Regioselective Rear-rangements from Cubanes

Autor: Jeong-Yu Son, Santeri Aikonen, Nathan Morgan, Alexander Harmata, Jesse Sabatini, Rosario Sausa, Edward Byrd, Daniel Ess, Robert Paton, Corey Stephenson

Cuneane is a strained hydrocarbon accessible via metal-catalyzed isomerization of cubane. The carbon atoms of cuneane define a polyhedron of the C2v point group with six faces- two triangular, two quadrilateral, and two pentagonal. The rigidity, stra

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::1e08bc97863c5561818d34fcf9e371f5
https://doi.org/10.26434/chemrxiv-2023-0xn9c

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Understanding Formation and Roles of Ni(II) Aryl Amido and Ni(III) Aryl Amido Intermediates in Ni-Catalyzed Electrochemical Aryl Amination Reactions

Autor: Jian Luo, Michael Davenport, Chad Callister, Shelley Minteer, Daniel Ess, Tianbiao Liu

Ni-catalyzed electrochemical aryl amination (e-amination) is an attractive, emerging approach to forging C−N bonds as it uses air-stable Ni catalysts and efficiently proceeds at room temperature. However, in-depth mechanistic understandings of this

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::cd6319a21422f97a60dd9f5c4ce24c7a
https://doi.org/10.26434/chemrxiv-2022-bpzwt

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Computational Assessment and Understanding of C6 Product Selectivity for Chromium Phosphinoamidine Catalyzed Ethylene Trimerization

Autor: Daniel Ess, Nathan Morgan, Steven Maley, Doo-Hyun Kwon, Michael Webster-Gardiner, Brooke Small, Orson Sydora, Steven Bischof

One approach to selectively generate 1-hexene is through ethylene trimerization using highly active Cr N-phosphinoamidine catalysts ((P,N)Cr). Depending on the ligand, (P,N)Cr catalysts can either generate nearly pure 1-hexene or form 1-hexene with s

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a5ba64d9c50e4e1938a4a9dfaf43ca4a
https://doi.org/10.26434/chemrxiv-2021-brx24

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Akademický článek

Antibody Immobilization on Waveguides Using aFlowÃ¢Â€Â'Through System Shows Improved Listeria monocytogenesDetection in an Automated Fiber Optic Biosensor: RAPTORTM

Autor: Arun K. Bhunia, Tao Geng, Angela Valadez, Aparna Kothapalli, Byoung-Kwon Hahm, Daniel Ess, Mark T. Morgan, Giyoung Kim, Viswaprakash Nanduri

Publikováno v: Sensors, Vol 6, Iss 8, Pp 808-822 (2006)

Recent outbreaks of food borne illnesses continue to support the need for rapidand sensitive methods for detection of foodborne pathogens. A method for detecting Listeriamonocytogenes in food samples was developed using an automated fiber-optic-based

Externí odkaz: https://doaj.org/article/9a3cf63ccfc24c2eb23e8399adb6aa31

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Catalysis with a Skip: Dynamically Coupled Addition, Proton Transfer, and Elimination During Au- and Pd-Catalyzed Diol Cyclization

Autor: Daniel Ess, Windsor Scott, Matthew Teynor

Au and Pd complexes have emerged as highly effective π-bond cyclization catalysts to construct heterocycles. These cyclization reactions are generally proposed to proceed through multi-step addition-elimination mechanisms involving Au- or Pd-alkyl i

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::c4e22d6156b25e16525a9a5291dacb46
https://doi.org/10.26434/chemrxiv.14700045

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Time-Resolved UV-IR Experiments that Suggest Photoactivated Fe-Cu Dinuclear Catalyst

Autor: Matthew Asplund, Daniel Ess, David Michaelis, Michael R. Talley, Erin E. Martinez, Doo-Hyun Kwon, Jacob Davis, Kyle Clark

This work reports the synthesis of a triethylsilyl-substituted Fe-Cu complex that provided cyclohexane solubility to conduct time-resolved UV-IR studies. These studies suggest that UV light induces a photochemically active heterodinuclear species for

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::07f0e4695eefcf64cb037533b4617d9a
https://doi.org/10.26434/chemrxiv.14176646

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Quantum-Mechanical Transition-State Model Combined with Machine Learning Provides Catalyst Design Features for Selective Cr Olefin Oligomerization

Autor: Steven Maley, Doo-Hyun Kwon, Nick Rollins, Johnathan Stanley, Orson Sydora, Steven M. Bischof, Daniel Ess

The use of data science tools to provide the emergence of nontrivial chemical features for catalyst design is an important goal in catalysis science. Additionally, there is currently no general strategy for computational homogeneous, molecular cataly

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::858d570066feb77d1634767971591c48
https://doi.org/10.26434/chemrxiv.12578552

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H/D Exchange Under Mild Conditions in Arenes and Unactivated Alkanes with C6D6 and D2O Using Rigid, Electron-rich Iridium PCP Pincer Complexes

Autor: Joel D. Smith, George Durrant, Daniel Ess, Warren Piers

The synthesis and characterization of an iridium polyhydride complex (Ir-H4)supported by an electron-rich PCP framework is described. This complex readily loses molecularhydrogen allowing for rapid room temperature hydrogen isotope exchange (HIE) at

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4f704b2b47f6680584f9ab6bf5dc4983
https://doi.org/10.26434/chemrxiv.12276632.v1

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