3 years ago

Cover Picture: Hydrogen-Bond Strength of CC and GG Pairs Determined by Steric Repulsion: Electrostatics and Charge Transfer Overruled (Chem. Eur. J. 43/2017)

Cover Picture: Hydrogen-Bond Strength of CC and GG Pairs Determined by Steric Repulsion: Electrostatics and Charge Transfer Overruled (Chem. Eur. J. 43/2017)
Célia Fonseca Guerra, Stephanie C. C. van der Lubbe
A new viewpoint on hydrogen bonds is presented, with the Pauli (steric) repulsion playing a decisive role. Hydrogen bonds are traditionally described as electrostatic interactions, which also exhibit stabilization by charge transfer, polarization, and dispersion interactions. Quantum chemical computations on the mismatched DNA base pairs cytosine–cytosine (CC) and guanine–guanine (GG) show that the enhanced stabilization and shorter distance of GG is determined entirely by the difference in the Pauli repulsion. More information can be found in the Communication by C. Fonseca Guerra and S. C. C. van der Lubbe on page 10249.

Publisher URL: http://onlinelibrary.wiley.com/resolve/doi

DOI: 10.1002/chem.201702436

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