Pauli Repulsions Exist Only in the Eye of the Beholder

Abstract

This paper presents a rebuttal to the preceding paper in this issue entitled "Hydrogen-Hydrogen Bonding in Planar Biphenyl, Predicted by Atoms-In-Molecules Theory, Does Not Exist". The arguments presented therein are based on an arbitrary partitioning of the energy into contributions from physically unrealizable states of the system. The response given here is presented in terms of the Feynman, Ehrenfest, and virial theorems of quantum mechanics and the observable properties of a system. A reader is thus free to choose between subjectivity or physics.

Physical Nature of Interactions in ZnIIComplexes with 2,2′-Bipyridyl: Quantum Theory of Atoms in Molecules (QTAIM), Interacting Quantum Atoms (IQA), Noncovalent Interactions (NCI), and Extended Transition State Coupled with Natural Orbitals for Chemical Valence (ETS-NOCV) Comparative Studies

“…41 The formation of H-H bonding interactions in simple molecules (like biphenyl, phenanthrene) was then challenged in the literature [42][43][44][45][46] and rebutted. [47][48] Understanding of trends in relative stability of metal complexes is of great importance and often a simple geometric analysis of reported crystal structures is used. 19 For instance, it is known that most (if not all) M(bpy) 2 complexes (e.g.…”

Non-Covalent Interactions in Hydrogen Storage Materials LiN(CH3)2BH3 and KN(CH3)2BH3

“…It is noteworthy that these types of connections are intuitively considered as destabilizing due to the lack of electrostatic attraction between hydrogen atoms-homopolar dihydrogen interactions (especially the intramolecular ones) are still a matter of debate in the literature [31][32][33][34][35][36][37][38][39][40][41][42][43][44][45][46]. Very recently more and more evidence has been reported in the literature that highlight the stabilizing nature of homopolar dihydrogen interactions [17,21,29,[36][37][38][39][40][41][42][43][44][45][46]. Accordingly, in this work we provide complementary results which shed light on energetic, quantitative and qualitative characteristics of non-covalent interactions that contribute to the stability of LiN(CH3)2BH3 and KN(CH3)2BH3 crystals.…”

Hydrogen–hydrogen bonding: A stabilizing interaction in strained chelating rings of metal complexes in aqueous phase

“…The energy lowering of the two H-H bonded atoms, when compared with other hydrogen atoms in a similar electronic environment, is typically in the range of 1-10 kcal mol -1 , but a local stabilization may or may not be accompanied by a global stabilization [3]. The stabilizing nature of this interaction has been challenged in the literature [17,18] but is now generally accepted as more evidence has accumulated in the literature from both experiment [19][20][21][22][23] and theory [3,[24][25][26]. (For a review, see Ref.…”