INTER-MOLECULAR CHARGE-TRANSFER IN MODEL HYDROGEN-BONDED SYSTEMS - BIOLOGICAL IMPLICATIONS

The electronic structure of the model hydrogen‐bonded systems has been studied at the all‐valence level in relation to the charge transfer mechanism. It is concluded that together with the intermolecular proton transfer an electronic charge transport occurs for hydrogen bonds of 2.70–3.00 Å in length, i.e., when the proton motion within the bond is anticipated. For elucidation of transport properties of one‐dimensional hydrogen‐bonded systems the tunneling–hopping model is preferred instead of the band theory. The importance of the proposed mechanism of the charge transfer for biological processes has been emphasized. Copyright © 1979 John Wiley & Sons, Inc.