Comment on "The 'Inverted Bonds' Revisited. Analysis of 'in Silico' Models and of [1.1.1]Propellane Using Orbital Forces"

Affiliations

¹ Laboratoire de Chimie Théorique, Sorbonne Université, 75005, Paris, France.
² Institute of Chemistry, The Hebrew University of Jerusalem, 9190401, Jerusalem, Israel.
³ State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Laboratory of Theoretical, and Computational Chemistry, Department of Chemistry, Xiamen University, Xiamen, Fujian, 361005, P. R. China.
⁴ CNRS, Institut de Chimie Physique UMR8000, Université Paris-Saclay, 91405, Orsay, France.

Benoît Braïda et al. Chemistry. 2020.

. 2020 May 26;26(30):6935-6939.

doi: 10.1002/chem.201905666. Epub 2020 May 11.

¹ Laboratoire de Chimie Théorique, Sorbonne Université, 75005, Paris, France.
² Institute of Chemistry, The Hebrew University of Jerusalem, 9190401, Jerusalem, Israel.
³ State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Laboratory of Theoretical, and Computational Chemistry, Department of Chemistry, Xiamen University, Xiamen, Fujian, 361005, P. R. China.
⁴ CNRS, Institut de Chimie Physique UMR8000, Université Paris-Saclay, 91405, Orsay, France.

Abstract

Inverted bonds: In this Correspondence, the authors comment on the recent paper on inverted bonds in [1.1.1]propellane by Chaquin et al.

Keywords: [1.1.1]Propellane; charge-shift bonds; inverted bonds; orbital forces; valence bond.

1. R. Laplaza, J. Contreras-Garcia, F. Fuster, F. Volatron, P. Chaquin, Chem. Eur. J. https://doi.org/10.1002/chem.201904910.
1. F. W. Averill, G. S. Painter, Phys. Rev. B 1986, 34, 2088-2095.
1. J. E. Jackson, L. C. Allen, J. Am. Chem. Soc. 1984, 106, 591-599.
1. D. Feller, E. R. Davidson, J. Am. Chem. Soc. 1987, 109, 4133-4139.
1. W. Wu, J. Gu, J. Song, S. Shaik, P. C. Hiberty, Angew. Chem. Int. Ed. 2009, 48, 1407-1410;