Charge-Shift Bonding: A New and Unique Form of Bonding |
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| Authors: | Prof Dr Sason Shaik Dr David Danovich Assoc Prof John Morrison Galbraith Dr Benoît Braïda Prof Dr Wei Wu Prof Dr Philippe C Hiberty |
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| Institution: | 1. Institute of Chemistry, The Hebrew University of Jerusalem, 9190401 Jerusalem, Israel;2. Department of Chemistry, Biochemistry and Physics, Marist College, 3399 North Road, Poughkeepsie, NY, 12601 USA;3. Laboratoire de Chimie Theorique, Sorbonne Universite, UMR7616 CNRS, Paris, 75252 France;4. State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, and Department of Chemistry, Xiamen University, Xiamen, Fujian, 361005 China;5. Laboratoire de Chimie Physique, CNRS UMR8000, Bat. 349, Université de Paris-Sud, 91405 Orsay Cédex, France |
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| Abstract: | Charge-shift bonds (CSBs) constitute a new class of bonds different than covalent/polar-covalent and ionic bonds. Bonding in CSBs does not arise from either the covalent or the ionic structures of the bond, but rather from the resonance interaction between the structures. This Essay describes the reasons why the CSB family was overlooked by valence-bond pioneers and then demonstrates that the unique status of CSBs is not theory-dependent. Thus, valence bond (VB), molecular orbital (MO), and energy decomposition analysis (EDA), as well as a variety of electron density theories all show the distinction of CSBs vis-à-vis covalent and ionic bonds. Furthermore, the covalent–ionic resonance energy can be quantified from experiment, and hence has the same essential status as resonance energies of organic molecules, e.g., benzene. The Essay ends by arguing that CSBs are a distinct family of bonding, with a potential to bring about a Renaissance in the mental map of the chemical bond, and to contribute to productive chemical diversity. |
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| Keywords: | Bindungstheorie Charge-Shift-Bindungen Ionische Bindungen Kovalente Bindungen Valenzbindungen |
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