화학공학소재연구정보센터
Journal of Chemical Physics, Vol.115, No.23, 10731-10737, 2001
An excess electron bound to urea oligomers. II. Chains and ribbons
The possibility of electron binding to chain- and ribbon-like urea oligomers was studied at the second-order Moller-Plesset perturbation theory level as well as at the coupled cluster level with single, double, and noniterative triple excitations. It was found that all the chains form stable dipole-bound anions whose electron binding energies grow rapidly with chain length, while ribbon-type oligomers bind an excess electron only when they contain an odd number of urea monomer units. Moreover, the chain oligomers support bound excited anionic states of Sigma and Pi symmetry.