Cyclic and linear polymeric structures of AlnH3n (n=3-7) molecules

Hiroaki Kawamura, Vijay Kumar, Qiang Sun, Yoshiyuki Kawazoe

Research output: Contribution to journalArticlepeer-review

29 Citations (Scopus)

Abstract

The cyclic and linear polymeric structures of AlnH3n (n=3-7) molecules were investigated. The binding energies and the highest occupied-lowest unoccupied molecular-orbital gaps of these molecules are significantly higher as compared to the values for the three-dimensional structures of hydrogenated aluminum clusters. Results showed that these molecules should be stable up to a size of atleast n=4 in cyclic or polymeric forms.

Original languageEnglish
Article number063205
Pages (from-to)632051-632058
Number of pages8
JournalPhysical Review A - Atomic, Molecular, and Optical Physics
Volume67
Issue number6
Publication statusPublished - 2003 Jun

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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