Search Results - "RZEPA, Henry S"

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  1. 1

    Chemoselective Polymerizations from Mixtures of Epoxide, Lactone, Anhydride, and Carbon Dioxide by Romain, Charles, Zhu, Yunqing, Dingwall, Paul, Paul, Shyeni, Rzepa, Henry S, Buchard, Antoine, Williams, Charlotte K

    Published in Journal of the American Chemical Society (30-03-2016)
    “…Controlling polymer composition starting from mixtures of monomers is an important, but rarely achieved, target. Here a single switchable catalyst for both…”
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    General Synthesis of 3‐Azabicyclo[3.1.1]heptanes and Evaluation of Their Properties as Saturated Isosteres by Dibchak, Dmitry, Snisarenko, Mariya, Mishuk, Artem, Shablykin, Oleh, Bortnichuk, Lina, Klymenko‐Ulianov, Oleksii, Kheylik, Yurii, Sadkova, Iryna V., Rzepa, Henry S., Mykhailiuk, Pavel K.

    Published in Angewandte Chemie International Edition (25-09-2023)
    “…A general approach to 3‐azabicyclo[3.1.1]heptanes by reduction of spirocyclic oxetanyl nitriles was developed. The mechanism, scope, and scalability of this…”
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    Equilibrium between a cyclotrisilene and an isolable base adduct of a disilenyl silylene by Cowley, Michael J., Huch, Volker, Rzepa, Henry S., Scheschkewitz, David

    Published in Nature chemistry (01-10-2013)
    “…In organic chemistry, compounds with adjacent alkene and carbene functionalities (vinyl carbenes) are studied widely as fleeting intermediates and in the…”
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    Tricyclic Aromatic Isomer of Hexasilabenzene by Abersfelder, Kai, White, Andrew J.P, Rzepa, Henry S, Scheschkewitz, David

    “…Benzene represents the showcase of Hückel aromaticity. The silicon analog, hexasilabenzene, has consequently been targeted for decades. We now report an…”
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    N-Heterocyclic Carbene Coordinated Neutral and Cationic Heavier Cyclopropylidenes by Jana, Anukul, Omlor, Isabell, Huch, Volker, Rzepa, Henry S., Scheschkewitz, David

    Published in Angewandte Chemie International Edition (08-09-2014)
    “…Cyclopropylidene is a transient intermediate of the allene–propyne–cyclopropene isomerization. The incorporation of heavier Group 14 elements into the…”
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  7. 7

    The Houk–List transition states for organocatalytic mechanisms revisited by Armstrong, Alan, Boto, Roberto A, Dingwall, Paul, Contreras-Garcia, Julia, Harvey, Matt J, Mason, Nicholas J, Rzepa, Henry S

    Published in Chemical science (Cambridge) (01-01-2014)
    “…The ten year old Houk–List model for rationalising the origin of stereoselectivity in the organocatalysed intermolecular aldol addition is revisited, using a…”
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    Equilibrium Formation of Stable All‐Silicon Versions of 1,3‐Cyclobutanediyl by Yildiz, Cem B., Leszczyńska, Kinga I., González‐Gallardo, Sandra, Zimmer, Michael, Azizoglu, Akin, Biskup, Till, Kay, Christopher W. M., Huch, Volker, Rzepa, Henry S., Scheschkewitz, David

    Published in Angewandte Chemie International Edition (24-08-2020)
    “…Main group analogues of cyclobutane‐1,3‐diyls are fascinating due to their unique reactivity and electronic properties. So far only heteronuclear examples have…”
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    The Nature of the Fourth Bond in the Ground State of C2: The Quadruple Bond Conundrum by Danovich, David, Hiberty, Philippe C., Wu, Wei, Rzepa, Henry S., Shaik, Sason

    Published in Chemistry : a European journal (19-05-2014)
    “…Does, or doesn’t C2 break the glass ceiling of triple bonding? This work provides an overview on the bonding conundrum in C2 and on the recent discussions…”
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  10. 10

    A Stable Derivative of the Global Minimum on the Si6H6 Potential Energy Surface by Abersfelder, Kai, White, Andrew J. P., Berger, Raphael J. F., Rzepa, Henry S., Scheschkewitz, David

    Published in Angewandte Chemie International Edition (16-08-2011)
    “…Silicon shuffle minimizes energy: Isomerization of the dismutational isomer of hexasilabenzene (see structure; R=2,4,6‐iPr3C6H2) produces the Si‐bridged…”
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    Mechanistic Diversity in Thermal Fragmentation Reactions: A Computational Exploration of CO and CO2 Extrusions from Five-Membered Rings by Rzepa, Henry S, Wentrup, Curt

    Published in Journal of organic chemistry (02-08-2013)
    “…The mechanisms of a variety of thermal pericyclic fragmentation reactions of five-membered heterocyclic rings are subjected to scrutiny at a density functional…”
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    A Response to the Critical Comments on "One Molecule, Two Atoms, Three Views, Four Bonds?" by Danovich, David, Shaik, Sason, Rzepa, Henry S., Hoffmann, Roald

    Published in Angewandte Chemie International Edition (03-06-2013)
    “…The criticism expressed by Frenking and Hermann on the notion of quadruple bonding in C2 is answered using hard facts. Both experimental and computational data…”
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    Total Synthesis of (+)-Lophirone H and Its Pentamethyl Ether Utilizing an Oxonium–Prins Cyclization by Abas, Hossay, Linsdall, Sean M, Mamboury, Mathias, Rzepa, Henry S, Spivey, Alan C

    Published in Organic letters (19-05-2017)
    “…The first total synthesis of (+)-lophirone H (1) and its pentamethyl ether 29, featuring an oxonium–Prins cyclization/benzylic cation trapping reaction, is…”
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  14. 14

    Experimental and Computational Investigation of the Mechanism of Carbon Dioxide/Cyclohexene Oxide Copolymerization Using a Dizinc Catalyst by Buchard, Antoine, Jutz, Fabian, Kember, Michael R, White, Andrew J. P, Rzepa, Henry S, Williams, Charlotte K

    Published in Macromolecules (11-09-2012)
    “…A detailed study of the mechanism by which a dizinc catalyst copolymerizes cyclohexene oxide and carbon dioxide is presented. The catalyst, previously…”
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    Cycloaddition Reactions of Azides and Electron‐Deficient Alkenes in Deep Eutectic Solvents: Pyrazolines, Aziridines and Other Surprises by Sebest, Filip, Lachhani, Kushal, Pimpasri, Chaleena, Casarrubios, Luis, White, Andrew J. P., Rzepa, Henry S., Díez‐González, Silvia

    Published in Advanced synthesis & catalysis (27-04-2020)
    “…The reaction of organic azides and electron‐deficient alkenes was investigated in a deep eutectic solvents. A series of highly substituted 2‐pyrazolines was…”
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    Lemniscular Hexaphyrins as Examples of Aromatic and Antiaromatic Double-Twist Möbius Molecules by Rzepa, Henry S

    Published in Organic letters (06-03-2008)
    “…Two reported [26] and [28]hexaphyrins are analyzed via measured and computed geometries and NMR-shieldings as examples of respectively 4n + 2 π-electron…”
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    Intrinsically chiral aromaticity. Rules incorporating linking number, twist, and writhe for higher-twist Möbius annulenes by Rappaport, Shay M, Rzepa, Henry S

    Published in Journal of the American Chemical Society (18-06-2008)
    “…The geometries of coiled annulenes belonging to the chiral C2 and D(n) (n = 2,7) point groups are defined by two chiral indices, W(r) and T(w), respectively…”
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  19. 19

    An Accessible Method for DFT Calculation of 11B NMR Shifts of Organoboron Compounds by Rzepa, Henry S, Arkhipenko, Sergey, Wan, Emily, Sabatini, Marco T, Karaluka, Valerija, Whiting, Andrew, Sheppard, Tom D

    Published in Journal of organic chemistry (03-08-2018)
    “…The study of boron-mediated reactions in organic synthesis and reactions of organoboron compounds is greatly facilitated by the use of 11B NMR. However, the…”
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    Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers by Abersfelder, Kai, Russell, Adam, Rzepa, Henry S, White, Andrew J. P, Haycock, Peter R, Scheschkewitz, David

    Published in Journal of the American Chemical Society (26-09-2012)
    “…The reactivity of two stable Si6R6 clusters (4 and 5, R = 2,4,6- i Pr3C6H2) with unsymmetrical substitution patterns (including Si, SiR, and SiR2 vertices) is…”
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