Effects of hydrogen bonding on pyridine resonances

29th International Conference on Photonic, Electronic, and Atomic Collisions

Sieradzka, Agnieszka^1 ; Maín, Zdenk^1 ; Gorfinkiel, Jimena D.^1

Department of Physical Sciences, Open University, Walton Hall, Milton Keynes

MK7 6AA, United Kingdom^1

关键词: DNA basis;    Presence of water;    Proton donors;    R-matrix calculation;    Scattering energy;    Shape resonance;    Water dimers;    Water molecule;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/635/7/072019/pdf
DOI  :  10.1088/1742-6596/635/7/072019

来源: IOP

【 摘 要 】

R-matrix calculation for electron scattering from pyridine and the pyridine-water dimer have been carried out to investigate how the presence of water inuences the position and lifetime of resonances. Pyridine has been chosen as a model of pyrimidinic DNA bases. Results show that the presence of 1 water molecule acting as the proton donor for the hydrogen bond leads to the shape resonances occurring in pyridine being shifted to lower scattering energies.