11.5 Proton Capture-Ability and Electron Emissibility of Halide Anions
235
including singlet, doublet, and triplet excitation (CCSD(T)) levels in DFT calculations. Observation may challenge that if the H frustration hopping happens in water
and solutions, as the O in the O:H–O has the identical electronegativity. The answer
from the author is negative because of the high H–O bonding energy. The exchange
location between the lone pair and the proton needs similar amount energy to break
the H–O bond.
11.6 Perspectives
A combination of the STM/S, XPS, XAS, DPS, and ultrafast UPS and FTIR observations and quantum calculations reveals consistently the bond—electron—phonon
correlation of the supersolidity of the confined and the hydrating water. Molecular
undercoordination and charge dispersion by salt solvation share the same effect on
the O:H–O bond relaxation and nonbonding electron polarization, which modulate
the local hydrogen bonding network and the water properties through H–O bond
contraction and O:H nonbond elongation. The O 1s energy shifts deeper, electronic
vertical bound energy decreases but the electron and phonon lifetimes become longer.
The supersolid phase is less dense, elastoviscous, mechanically and thermally more
stable with the hydrophobic and frictionless surface. The O:H–O bond cooperative
relaxation disperses outwardly the quasisolid phase boundary to raise the melting
point and meanwhile lower the freezing point of water ice.
From what we have learnt in the described exercises, one can be recommended the
following ways of thinking and approaching to complement the available premises:
(1) The nonbonding electron lone pairs pertained to N, O, F and their neighboring
elements in the Periodic Table form the primary element being key to our life,
which should receive deserved attention. The lone pair is related to DNA folding
and unfolding, regulating, and messaging. NO medication and CF 4 anticoagulation in synthetic blood are realized through lone pairs interaction with living
cells. The lone pair forms the O:H and the O:⇔:O interactions together with
the H ↔ H determines the molecular interactions. Without lone pairs, neither
O:H–O bond nor oxidation could be possible; molecular interaction equilibrium
could not be realized. Extending the knowledge about lone pairs and their functionality of polarization to catalysis, solution-protein, drug-cell, liquid-solid,
colloid-matrix, interactions and even energetic explosives and other molecular
crystals would be even more fascinating.
(2) The key to the O:H–O bond is the O–O coupling. Without such a coupling
none of the cooperative relaxation or the mysterious of water ice and aqueous
solutions such as ice floating, ice slipperiness, regelation, supercooling/heating
or the negative thermal expansion, warm water cooling faster. Unfortunately,
the O–O coupling has been long oversighted in practice. It is necessary to think
235
including singlet, doublet, and triplet excitation (CCSD(T)) levels in DFT calculations. Observation may challenge that if the H frustration hopping happens in water
and solutions, as the O in the O:H–O has the identical electronegativity. The answer
from the author is negative because of the high H–O bonding energy. The exchange
location between the lone pair and the proton needs similar amount energy to break
the H–O bond.
11.6 Perspectives
A combination of the STM/S, XPS, XAS, DPS, and ultrafast UPS and FTIR observations and quantum calculations reveals consistently the bond—electron—phonon
correlation of the supersolidity of the confined and the hydrating water. Molecular
undercoordination and charge dispersion by salt solvation share the same effect on
the O:H–O bond relaxation and nonbonding electron polarization, which modulate
the local hydrogen bonding network and the water properties through H–O bond
contraction and O:H nonbond elongation. The O 1s energy shifts deeper, electronic
vertical bound energy decreases but the electron and phonon lifetimes become longer.
The supersolid phase is less dense, elastoviscous, mechanically and thermally more
stable with the hydrophobic and frictionless surface. The O:H–O bond cooperative
relaxation disperses outwardly the quasisolid phase boundary to raise the melting
point and meanwhile lower the freezing point of water ice.
From what we have learnt in the described exercises, one can be recommended the
following ways of thinking and approaching to complement the available premises:
(1) The nonbonding electron lone pairs pertained to N, O, F and their neighboring
elements in the Periodic Table form the primary element being key to our life,
which should receive deserved attention. The lone pair is related to DNA folding
and unfolding, regulating, and messaging. NO medication and CF 4 anticoagulation in synthetic blood are realized through lone pairs interaction with living
cells. The lone pair forms the O:H and the O:⇔:O interactions together with
the H ↔ H determines the molecular interactions. Without lone pairs, neither
O:H–O bond nor oxidation could be possible; molecular interaction equilibrium
could not be realized. Extending the knowledge about lone pairs and their functionality of polarization to catalysis, solution-protein, drug-cell, liquid-solid,
colloid-matrix, interactions and even energetic explosives and other molecular
crystals would be even more fascinating.
(2) The key to the O:H–O bond is the O–O coupling. Without such a coupling
none of the cooperative relaxation or the mysterious of water ice and aqueous
solutions such as ice floating, ice slipperiness, regelation, supercooling/heating
or the negative thermal expansion, warm water cooling faster. Unfortunately,
the O–O coupling has been long oversighted in practice. It is necessary to think