The charge-shift bonding concept. Electron-pair bonds with very large ionic-covalent resonance energies

1992 ◽  
Vol 114 (20) ◽  
pp. 7861-7866 ◽  
Author(s):  
Sason Shaik ◽  
Philippe Maitre ◽  
Gjergji Sini ◽  
Philippe C. Hiberty
Keyword(s):  
Electron Pair ◽  
Pair Bonds ◽  
Resonance Energies ◽  
Charge Shift

Electron-pair Bonds versus Polarization in Crystals

1931 ◽  
Vol 37 (9) ◽  
pp. 1177-1178 ◽  
Author(s):  
Maurice L. Huggins
Keyword(s):  
Electron Pair ◽  
Pair Bonds

Corrigendum to: Valence Bond Formulations of Mechanisms for the Formation and Decomposition of N2O5

2006 ◽  
Vol 3 (6) ◽  
pp. 457 ◽  
Author(s):  
Richard D. Harcourt ◽  
Thomas M. Klapötke
Keyword(s):  
Thermal Decomposition ◽  
Gas Phase ◽  
Phase Formation ◽  
Electronic Structures ◽  
Electron Pair ◽  
Valence Bond ◽  
Pair Bonds ◽  
Normal Electron ◽  
Stratospheric Clouds ◽  
Increased Valence

Environmental Context. N2O5 is an important nitrogen reservoir in polar stratospheric clouds found in Antarctica and involved with the ozone hole. Here we provide valence bond representations for the gas-phase formation and decomposition of this molecule. Abstract. Qualitative valence bond considerations are used to suggest how electronic reorganization could proceed for (a) the formation of N2O5 via the reactions NO2 + O3 → NO3 + O2, and NO2 + NO3 → N2O5, and (b) the thermal decomposition of N2O5 via the following sets of reactions: (i) N2O5 → NO2 + NO3, 2NO3 → O2NOONO2 → 2NO2 + O2; (ii) NO2 + NO3 → ONOONO2 → NO + O2 + NO2, NO + NO3 → 2NO2. Increased-valence structures, which possess one-electron bonds and fractional electron-pair bonds as well as 'normal' electron-pair bonds, are used to represent the electronic structures of the molecules.

scholarly journals Electron-pair bonding in real space. Is the charge-shift family supported?

2019 ◽  
Vol 55 (35) ◽  
pp. 5071-5074 ◽  
Author(s):  
J. Luis Casals-Sainz ◽  
F. Jiménez-Grávalos ◽  
E. Francisco ◽  
A. Martín Pendás
Keyword(s):  
Electron Pair ◽  
Real Space ◽  
Pair Bonding ◽  
Shift Family ◽  
Charge Shift

Charge-shift bonding (CSB) has been introduced as a distinct third family of electron-pair links that adds to the covalent and ionic tradition.

Valence Bond Formulations of Mechanisms for the Formation and Decomposition of N2O5

2006 ◽  
Vol 3 (5) ◽  
pp. 355 ◽  
Author(s):  
Richard D. Harcourt ◽  
Thomas M. Klapötke
Keyword(s):  
Thermal Decomposition ◽  
Gas Phase ◽  
Phase Formation ◽  
Electronic Structures ◽  
Electron Pair ◽  
Valence Bond ◽  
Pair Bonds ◽  
Normal Electron ◽  
Stratospheric Clouds ◽  
Increased Valence

Environmental Context. N2O5 is an important nitrogen reservoir in polar stratospheric clouds found in Antarctica and involved with the ozone hole. Here we provide valence bond representations for the gas-phase formation and decomposition of this molecule. Abstract. Qualitative valence bond considerations are used to suggest how electronic reorganization could proceed for (a) the formation of N2O5 via the reactions NO2 + O3 → NO3 + O2, and NO2 + NO3 → N2O5, and (b) the thermal decomposition of N2O5 via the following sets of reactions: (i) N2O5 → NO2 + NO3, 2NO3 → O2NOONO2 →2NO2 + O2; (ii) NO2 + NO3 → ONOONO2 → NO + O2 + NO2, NO + NO3 → 2NO2. Increased-valence structures, which possess one-electron bonds and fractional electron-pair bonds as well as ‘normal’ electron-pair bonds, are used to represent the electronic structures of the molecules.

Charge-Shift Bonding Emerges as a Distinct Electron-Pair Bonding Family from Both Valence Bond and Molecular Orbital Theories

2014 ◽  
Vol 10 (6) ◽  
pp. 2410-2418 ◽  
Author(s):  
Huaiyu Zhang ◽  
David Danovich ◽  
Wei Wu ◽  
Benoît Braïda ◽  
Philippe C. Hiberty ◽  
...  
Keyword(s):  
Molecular Orbital ◽  
Electron Pair ◽  
Valence Bond ◽  
Pair Bonding ◽  
Charge Shift
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