Clusters of Hydroxyl-Functionalized Cations Stabilized by Cooperative Hydrogen Bonds: The Role of Polarizability and Alkyl Chain Length
Abstract
:1. Introduction
2. Density Functional Theory (DFT) Calculations of Cationic and Neutral Clusters
3. NMR Proton Chemical Shifts and Deuteron Quadrupole Coupling Constants as H-Bond Sensors
4. Influence of Cation Polarizability on Energies, Geometries, and Spectroscopic Properties
5. Role of Hydroxyl Alkyl Chain Length on Energies, Geometries, and Spectroscopic Properties
6. Neural Clusters: Competition between (c–a) and (c–c) Hydrogen Bonds
7. Universal Linear Relation between Δ(χD) and δ1H Allows Prediction of Properties
8. Conclusions
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
References
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Philipp, J.K.; Ludwig, R. Clusters of Hydroxyl-Functionalized Cations Stabilized by Cooperative Hydrogen Bonds: The Role of Polarizability and Alkyl Chain Length. Molecules 2020, 25, 4972. https://doi.org/10.3390/molecules25214972
Philipp JK, Ludwig R. Clusters of Hydroxyl-Functionalized Cations Stabilized by Cooperative Hydrogen Bonds: The Role of Polarizability and Alkyl Chain Length. Molecules. 2020; 25(21):4972. https://doi.org/10.3390/molecules25214972
Chicago/Turabian StylePhilipp, Jule K., and Ralf Ludwig. 2020. "Clusters of Hydroxyl-Functionalized Cations Stabilized by Cooperative Hydrogen Bonds: The Role of Polarizability and Alkyl Chain Length" Molecules 25, no. 21: 4972. https://doi.org/10.3390/molecules25214972