화학공학소재연구정보센터
Chemical Physics Letters, Vol.435, No.4-6, 346-349, 2007
Parity violation energy of 5-pyrimidyl alkanol, a chiral autocatalytic molecule
The energy of parity-violation due to weak-nuclear interactions between molecular electrons and nucleons associated with three molecules that participate in highly enantioselective autocatalytic reactions is estimated with ab initio techniques. The molecules, derivatives of (S)-5-pyrimidyl alkanol, are found to have very small parity-violation energy. Although our results are not conclusive, the computed parity-violation energy is not expected to have any effect on the direction of spontaneous symmetry breaking reported in the literature and leading to a preferential formation of the (S) form. (c) 2006 Elsevier B.V. All rights reserved.