V-I characteristics of STM processes as a probe detecting vibronic interactions at a redox state in large molecular adsorbates such as electron-transfer metalloproteins

Article Abstract:

The V-I characteristics of the scanning tunneling microscopy (STM) processes was examined to derive fundamental physical properties for the redox state (RS) in large molecular adsorbates such as electron-transfer metalloproteins. Results led to the prediction that the V-I characteristics have a phonon-progressional staircase geometry. The RS physical parameters derived from the predicted V-I characteristics include the location of the RS, energies of inner- and outer-sphere reorganizations and the energy of intramolecular phonons acting in the inner-sphere reorganization.

Metalloproteins, Oxidation-reduction reaction, Oxidation-reduction reactions, Phonons

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Theoretical investigation of static characterization on nonlinear elementary excitations in trans-polyacetylene

Article Abstract:

The Pariser-Parr-Pople- density matrix renormalization group (PPP-DMRG) method is applied to semiempirical quantum chemical study on neutral and positively charged trans-PA oligomers with up to 101 carbon atoms. The comparison of the geometrical and electronic distortions induced by defects with the theoretical work shows that sufficient account of the electron correlation is necessary for describing the systems.

Science & research, Quantum chemistry, Chemical properties, Solitons, Report

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Vibronic interactions in negatively charged polyacetylene

Article Abstract:

Electron-photon interactions in the monoanions of polyacetylenes are studied and compared with those in the monoanions of polyacenes. One of the findings reveals that the monoanions with smaller molecular size cannot easily become good conductors.

Electric properties, Atomic properties

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