Linear aluminum- and phosphorus-doped carbon cluster anions: Mass distribution and ab initio calculations
- 化学化工－已发表论文 
Both aluminum- and phosphorus-doped carbon cluster anions were produced by laser ablation on mixed powder samples. Dramatic even/odd alternation of the cluster ion signal intensity can be observed in their recorded mass spectra. The mass distributions reveal that the CnAl- clusters with even n are more stable than those with odd n, while the CnP- clusters with odd n are more stable than those with even n. The contrary parity effects are confirmed by ab initio Hartree-Fock calculations carried out on a linear cluster model. Calculated energies, which are expressed as the energy difference between the adjacent clusters as well as the binding energy and the electron binding ene-gy, and optimized geometries of the clusters also favor the singlet species, which are the CnAl- clusters with even n and the CnP- clusters with odd n. (C) 1998 Elsevier Science B.V.