Intrinsic Rashba coupling due to hydrogen bonding in DNA
| Autor: | B. Guillot, Floralba López, Solmar Varela, Vladimiro Mujica, Ernesto Medina, Bertrand Berche, B. Montañes |
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| Přispěvatelé: | Yachay Tech University, Instituto Venezolano de Investigaciones Cientificas (IVIC), Laboratoire de Physique et Chimie Théoriques (LPCT), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Institut Jean Barriol (IJB), Arizona State University [Tempe] (ASU) |
| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: |
Base pair
[PHYS.PHYS.PHYS-BIO-PH]Physics [physics]/Physics [physics]/Biological Physics [physics.bio-ph] FOS: Physical sciences General Physics and Astronomy Electron 010402 general chemistry 01 natural sciences Electron Transport Tight binding Physics - Chemical Physics Electric field Mesoscale and Nanoscale Physics (cond-mat.mes-hall) 0103 physical sciences Physical and Theoretical Chemistry Polarization (electrochemistry) Chemical Physics (physics.chem-ph) Physics chemistry.chemical_classification Quantitative Biology::Biomolecules Condensed Matter - Mesoscale and Nanoscale Physics 010304 chemical physics Hydrogen bond Biomolecule Hydrogen Bonding DNA 0104 chemical sciences Models Chemical chemistry Chemical physics [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph] Chirality (chemistry) Oligopeptides |
| Zdroj: | Journal of Chemical Physics Journal of Chemical Physics, American Institute of Physics, 2019, 151 (12), pp.125102. ⟨10.1063/1.5121025⟩ |
| ISSN: | 0021-9606 1089-7690 |
| DOI: | 10.1063/1.5121025⟩ |
| Popis: | International audience; We present an analytical model for the role of hydrogen bonding on the spin-orbit coupling of a model DNA molecule. Here, we analyze in detail the electric fields due to the polarization of the hydrogen bond on the DNA base pairs and derive, within a tight binding analytical band folding approach, an intrinsic Rashba coupling which should dictate the order of the spin active effects in the chiral-induced spin selectivity effect. The coupling found is ten times larger than the intrinsic coupling estimated previously and points out to the predominant role of hydrogen bonding in addition to chirality in the case of biological molecules. We expect similar dominant effects in oligopeptides, where the chiral structure is supported by hydrogen-bonding and bears on orbital carrying transport electrons. |
| Databáze: | OpenAIRE |
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