Au???H?C Hydrogen Bonds as Design Principle in Gold(I) Catalysis

Energetic Effects of Multiple Hydrogen Bonds. Implications for Enzymatic Catalysis

The rate enhancements obtained by enzymes often require greater than 20 kcaVmol of stabilization that is specific to the transition state. Inspection of active sites suggests that enzymes often use multiple interactions with substrate groups undergoing charge rearrangement to help provide this preferential stabilization. We have analyzed the deprotonation, in DMSO, of benzoic acids with one or ...

Halogen bonds as orthogonal molecular interactions to hydrogen bonds.

Halogen bonds (X-bonds) are shown to be geometrically perpendicular to and energetically independent of hydrogen bonds (H-bonds) that share a common carbonyl oxygen acceptor. This orthogonal relationship is accommodated by the in-plane and out-of-plane electronegative potentials of the oxygen, which are differentially populated by H- and X-bonds. Furthermore, the local conformation of a peptide...

Hydrogen Bonds

Proton tunneling in hydrogen bonds and its implications in an induced-fit model of enzyme catalysis

Onur Pusuluk, Tristan Farrow, 3 Cemsinan Deliduman, Keith Burnett, and Vlatko Vedral 3 Department of Physics, İstanbul Technical University, Maslak, İstanbul, 34469 Turkey Department of Physics, University of Oxford, Parks Road, Oxford, OX1 3PU, UK Centre for Quantum Technologies, National University of Singapore, 3 Science Drive 2, Singapore 117543, Singapore Department of Physics, Mimar Sinan...

NMR Spectroscopic Characterization of Charge Assisted Strong Hydrogen Bonds in Brønsted Acid Catalysis

Hydrogen bonding plays a crucial role in Brønsted acid catalysis. However, the hydrogen bond properties responsible for the activation of the substrate are still under debate. Here, we report an in depth study of the properties and geometries of the hydrogen bonds in (R)-TRIP imine complexes (TRIP: 3,3'-Bis(2,4,6-triisopropylphenyl)-1,1'-binaphthyl-2,2'-diylhydrogen phosphate). From NMR spectro...