Summary
The temperature-dependent Greens function method is used for the calculation of the H3O+ ion mobility. The mobility is determined by a second-order relaxation process which involves the emission of one phonon and the absorption of another. At this process one proton of the ion undergoes the virtual transition from the ground state to the excited vibrational state in the hydrogen bond. The calculated proton relaxation time is 3.10−12 s and the theory accounts reasonably well for the experimental data.
Riassunto
Si usa il metodo della funzione di Green dipendente dalla temperatura per oalcolare la mobilità dell’ione H3O+. La mobilità è determinata da un processo di rilassamente del secondo ordine che comporta l’emissione di un fotone e l’assorbimento di un altro fotone. In questo processo un protone dell’ione subisce una transizione virtuale dallo stato fondamentale allo stato vibratorio eccitato nel legame dell’idrogeno. Il calcolo del tempo di rilassamento del protone dà 3.10112 s e la teoria rende ragionevolmente conto dei dati sperimentali.
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Gosar, P. On the mobility of the H3O+ ion in ice crystals. Nuovo Cim 30, 931–946 (1963). https://doi.org/10.1007/BF02750426
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DOI: https://doi.org/10.1007/BF02750426