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Showing 1–12 of 12 results
Advanced filters: Author: Sason Shaik Clear advanced filters

  • The iron active sites of enzymes routinely cleave strong C–H bonds, but synthetic complexes have so far been much slower and less efficient. Now, the reactivity of a biomimetic diiron complex has been dramatically enhanced by converting its oxo bridge into a terminal ligand, and its iron centre from low spin to high spin.

    • Sason Shaik
    News & Views
    Nature Chemistry
    Volume: 2, P: 347-349

  • The majority of enzymatic Kemp elimination reactions proceed via a well-established acid-base mechanism. Here, the authors show that cytochrome P450 is able to metabolize the leflunomide drug via a redox Kemp elimination, offering new insights into enzyme catalysis.

    • Aitao Li
    • Binju Wang
    • Manfred T. Reetz
    ResearchOpen Access
    Nature Communications
    Volume: 8, P: 1-8

  • The bonding order of multiply bonded main-group elements is conventionally thought to be limited to triple bonds. Now, using high-level theoretical methods, it is shown that C2 and its isoelectronic molecules CN+, BN and CB− are quadruply bonded, featuring not only one σ - and two π-bonds, but also one weak ‘inverted’ bond.

    • Sason Shaik
    • David Danovich
    • Philippe C. Hiberty
    Research
    Nature Chemistry
    Volume: 4, P: 195-200

  • Intermolecular non-polar H···H interactions between polyhedrane molecules may be as attractive as classical hydrogen bonds. A theoretical study identifies the chemical and structural factors that favour such attractive interactions.

    • Jorge Echeverría
    • Gabriel Aullón
    • Santiago Alvarez
    Research
    Nature Chemistry
    Volume: 3, P: 323-330

  • Hydrocarbon oxidations using non-heme iron catalysts together with hydrogen peroxide and acetic acid are synthetically useful. Here the authors characterize a low-spin acylperoxoiron(III) species that undergoes rate determining decay to an unobserved oxoiron(V) oxidant, elucidating catalyst activity.

    • Williamson N. Oloo
    • Katlyn K. Meier
    • Lawrence Que
    Research
    Nature Communications
    Volume: 5, P: 1-9

  • No longer a theoretical dream, this Perspective describes effects of oriented external electric fields on rates and selectivity patterns of nonpolar reactions. Discussions of the Diels–Alder reaction, C–H and C=C bond activations and so on, underscore the potential usage of oriented electric fields as future smart catalysts, inhibitors and reagents in chemistry.

    • Sason Shaik
    • Debasish Mandal
    • Rajeev Ramanan
    Reviews
    Nature Chemistry
    Volume: 8, P: 1091-1098

  • Principles based on overlaps and interactions between bonding and antibonding orbitals are known to control chemical reactivity. This Perspective discusses how, for reactions and kinetics of bioinorganic species, particular pathways are also exchange-enhanced — that is, favoured by an increase in the number of unpaired and spin-identical electrons on a metal centre.

    • Sason Shaik
    • Hui Chen
    • Deepa Janardanan
    Reviews
    Nature Chemistry
    Volume: 3, P: 19-27

  • The two established models of chemical bonding, covalent and ionic, do not accurately describe all forms of bonds. This article explains how 'charge-shift' bonds — with a large covalent–ionic resonance interaction energy — are a third type of bond, and discusses some examples.

    • Sason Shaik
    • David Danovich
    • Philippe C. Hiberty
    Reviews
    Nature Chemistry
    Volume: 1, P: 443-449