TY - JOUR
T1 - Charge-Shift Bonding
T2 - A New and Unique Form of Bonding
AU - Shaik, Sason
AU - Danovich, David
AU - Galbraith, John Morrison
AU - Braïda, Benoît
AU - Wu, Wei
AU - Hiberty, Philippe C.
N1 - Publisher Copyright:
© 2020 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
PY - 2020/1/13
Y1 - 2020/1/13
N2 - 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.
AB - 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.
KW - bond theory
KW - charge-shift bonds
KW - covalent bonds
KW - ionic bonds
KW - valence bonds
UR - http://www.scopus.com/inward/record.url?scp=85075137636&partnerID=8YFLogxK
U2 - 10.1002/anie.201910085
DO - 10.1002/anie.201910085
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C2 - 31476104
AN - SCOPUS:85075137636
SN - 1433-7851
VL - 59
SP - 984
EP - 1001
JO - Angewandte Chemie - International Edition
JF - Angewandte Chemie - International Edition
IS - 3
ER -