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Polarization, donor-acceptor interactions, and covalent contributions in weak interactions: a clarification
1Computer-Chemie-Centrum, Department of Chemistry and Pharmacy, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052, Erlangen, Germany. Tim.Clark@fau.de.
Journal of Molecular Modeling
|September 29, 2017
Summary
Weak interactions like charge transfer and covalent bonding are unified under the concept of polarization. Polarization is the most consistent descriptor as it
Area of Science:
- Quantum chemistry
- Chemical bonding theory
Background:
- Weak interactions are crucial in molecular systems.
- Existing models for charge transfer and covalent bonding lack a unified framework.
Purpose of the Study:
- To unify concepts of polarization, charge transfer, and covalent bonding.
- To establish polarization as the fundamental descriptor for weak interactions.
Main Methods:
- Discussion of polarization (induction) as a unifying concept.
- Incorporation of Feynman description for dispersion forces.
- Model calculations to support theoretical framework.
Main Results:
- Polarization, charge transfer, and covalent bonding are shown as manifestations of the same phenomenon.
- Polarization is identified as the sole measurable and uniquely defined quantity among the three.
- Dispersion forces are conceptualized as a form of polarization.
Conclusions:
- A consistent theoretical framework for weak interactions based on polarization is proposed.
- This approach offers a more unified and measurable understanding of chemical bonding.
- The findings provide a new perspective on intermolecular forces.
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