Energetics of the manganese oxide cluster cations MnNO + (N=2-5): Role of oxygen in the binding of manganese atoms

Kensuke Tono, Akira Terasaki, Toshiaki Ohta, Tamotsu Kondow

研究成果: Contribution to journalArticle査読

5 被引用数 (Scopus)

抄録

The photodissociation of manganese oxide cluster cations MnN O+ (N=2-5), into MnN-1 O+ (one-atom loss) and MnN-2 O+ (two-atom), was investigated in the photon-energy range of 1.08-2.76 eV. The bond-dissociation energies D0 (MnN-1 O+ Mn) for N=3, 4, and 5 were determined to be 1.84±0.03, 0.99±0.05, and 1.25±0.14 eV, respectively, from the threshold energies for the one- and two-atom losses. As Mn2 O+ did not dissociate even at the highest photon energy used, the bond dissociation energy of Mn2 O+, D0 (Mn+ MnO), was obtained from a density-functional-theory calculation to be 3.04 eV. The present findings imply that the core ion Mn2 O+ is bound weakly with the rest of the manganese atoms in MnN O+.

本文言語英語
論文番号184311
ジャーナルJournal of Chemical Physics
124
18
DOI
出版ステータス出版済み - 2006
外部発表はい

All Science Journal Classification (ASJC) codes

  • 物理学および天文学(全般)
  • 物理化学および理論化学

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