Base-hydration-resolved hydrogen-bond networking dynamics: Quantum point compression

(H, Li)Br and LiOH Solvation Bonding Dynamics: Molecular Nonbond Interactions and Solute Extraordinary Capabilities

“…Both the H3O + and the OHretain their sp 3 -hybridized electron orbitals but have unbalanced numbers of protons and lone pairs, as the Figure 2 b and c insets illustrated [36][37] . The H3O + and OHsubstitution for the central H2O molecule in the 2H2O unit cell creates regularly the 47,69 .…”

“…Only solute-solvent induction and repulsion occur in the aqueous solutions. 37 . Likewise, HBr solvation creates the HH interaction 36 .…”

“…It is yet to be known how the H + (H3O + ), OH -, Li + and Brions interact with water molecules and their neighboring solutes, and their impact on the performance of the solutions such as the surface stress, solution viscosity, solution temperature, and critical pressures and temperatures for phase transition 28,35 . Our understanding is limited within the mode of proton motion or molecular drifting, but what is going on inside the molecules is much more fascinating 28,[36][37] .…”

“…Aside from the interest in the O:H phonon relaxation 38 , solute-solvent interaction length 39 , structure making or breaking 40 41 , solute motion dynamics and phonon relaxation lifetime, we turn to examine the intra-and intermolecular interactions and the solute capabilities of transiting the number and stiffness of the O:H-O bonds from the mode of ordinary water into the hydration shells. We showed recently that O:H-O bond polarization, HH interproton disruption, and O::O inter-lone-pair compression essentially govern the solute-solvent interactions in the respective H(Cl, Br, I) 36 , Na(F, Cl, Br, I) 42 and (LI, Na, K)OH 37 solutions. An extension of our efforts [36][37]42 to the present HBr, LiBr, and LiOH solvation dynamics has led to consistent insight into the solute-solute interaction and the solute capabilities of mediating the solution properties.…”

“…We showed recently that O:H-O bond polarization, HH interproton disruption, and O::O inter-lone-pair compression essentially govern the solute-solvent interactions in the respective H(Cl, Br, I) 36 , Na(F, Cl, Br, I) 42 and (LI, Na, K)OH 37 solutions. An extension of our efforts [36][37]42 to the present HBr, LiBr, and LiOH solvation dynamics has led to consistent insight into the solute-solute interaction and the solute capabilities of mediating the solution properties. We found that only Br --Brrepulsion exists in the LiBr and HBr solutions without the presence of Li + -Li + or Li + -Brinteractions.…”