Stabilization of an excess electron on uracil by a pair of HF molecules: ab initio study

Two HF molecules can stabilize an excess electron in an uracil anion in a covalent π state or in a diffuse σ state by directly interacting with the electron. The ab initio calculations performed in this work reveal several different configurational isomers of the complex of the uracil anion with the two HF molecules. The systems differ in terms of the structure of the solvation shell around the excess electron.