Coherent Tunnel Repolarization of a Hydrogen Bonded Chain

Abstract

In the present paper we suggest a possible mechanism of repolarization of a short hydrogen bonded chain. This mechanism is based on the coherent tunnel reorientation of ionic groups and is additional to the other one that is realized due to the coherent tunnel repolarization of the hydrogen bonds described in the previous work (J. Mol. Struct. 416, 161 (1997)). With the aid of the instanton method the tunnelling frequency of this reorient transition is calculated in the WKB approximation. The tunnelling frequency of such a flip-flop process does not depend on temperature, and this effect can be observed at low temperatures when tunnelling chain repolarization prevails over the thermal activation one.

On The Multiscale Structure and Morphology of PVDF‐HFP@MOF Membranes in The Scope of Water Remediation Applications

“…In general terms, the data obtained for all the membranes is the typical one found in polydisperse systems forming a fractal‐like aggregated structure. [ 53 ] Therefore, the differences arising from the fractal structure will be discussed, followed by a discussion of the nano‐inhomogeneities detected in the different composite membranes.…”

Strong Short-Range Interactions in One-Dimensional Proton Conductor

“…For the first time this model was used in [11] (see also [15]) to describe the molecular complexes with hydrogen bonds. Later it was used to describe proton transport and to calculate the conductivity coefficients in superionic crystals of Me 3 H(XO 4 ) 3 (Me = Cs, Rb, NH 4 ; X = S, Se) group [16,17].…”

Coherent Proton Tunneling in a Short Hydrogen Bonded Chain

“…When the protons are tightly bound with the ions, the vibrations reduce the coherent tunnel rate, whereas when protons are localized near the potential barrier the latter is increased. It is interesting to observe that the proton±phonon coupling can effectively reduce the tunneling frequency of a proton in a hydrogen bond W 0 0 while the frequency of the coherent tunnel motion of protons can increase I Tunnel repolarization of an H-bonded chain can be due not only to the coherent proton tunneling along the hydrogen bond but can also occur due to coherent tunnel motion of the protons around heavy ions [9,10], when protons are tightly bound with the ion groups. To illustrate the feasibility of such transitions it is sufficient to study the simplest models of orientation oscillations of the ionic groups [13] which, in the twolevel approximation, can be reduced to the model of an easy-axis ferromagnetic.…”