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Charge-Shift Bonding: A New and Unique Form of Bonding
Sason Shaik1, David Danovich1, John Morrison Galbraith2
1Institute of Chemistry, The Hebrew University of Jerusalem, 9190401, Jerusalem, Israel.
Angewandte Chemie (International Ed. in English)
|September 3, 2019
Summary
Charge-shift bonds (CSBs) are a distinct chemical bond type, arising from resonance interactions, not covalent or ionic structures. This research confirms their unique nature across multiple theories, suggesting a new perspective on chemical bonding.
Area of Science:
- Chemical bonding theory
- Quantum chemistry
- Materials science
Background:
- Traditional chemical bonding models include covalent, polar-covalent, and ionic bonds.
- A unique class of bonds, charge-shift bonds (CSBs), has been historically overlooked.
- CSBs are characterized by resonance interactions between covalent and ionic structures.
Purpose of the Study:
- To elucidate the reasons for the historical oversight of charge-shift bonds (CSBs).
- To demonstrate the theoretical independence of CSB classification.
- To establish CSBs as a distinct category of chemical bonding.
Main Methods:
- Analysis of historical valence-bond theory.
- Application of valence bond (VB) and molecular orbital (MO) theories.
- Utilization of energy decomposition analysis (EDA) and electron density theories.
- Experimental quantification of covalent-ionic resonance energy.
Main Results:
- Charge-shift bonds (CSBs) are confirmed as distinct from covalent and ionic bonds across multiple theoretical frameworks.
- The unique bonding nature of CSBs is independent of specific theoretical approaches.
- Quantifiable covalent-ionic resonance energy in CSBs is comparable to resonance energies in organic molecules.
Conclusions:
- Charge-shift bonds (CSBs) represent a fundamentally different class of chemical bonds.
- CSBs have the potential to significantly expand the understanding of chemical bonding.
- Recognition of CSBs could lead to a renaissance in chemical bonding concepts and foster chemical diversity.
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