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

Research output: Contribution to journalArticle

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Abstract

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+.

Original languageEnglish
Article number184311
JournalJournal of Chemical Physics
Volume124
Issue number18
DOIs
Publication statusPublished - May 23 2006

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manganese oxides
Manganese
Cations
manganese
Oxygen
cations
Atoms
oxygen
atoms
Photons
energy
dissociation
Photodissociation
photons
photodissociation
Density functional theory
manganese oxide
Ions
density functional theory
thresholds

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Energetics of the manganese oxide cluster cations MnNO + (N=2-5) : Role of oxygen in the binding of manganese atoms. / Tono, Kensuke; Terasaki, Akira; Ohta, Toshiaki; Kondow, Tamotsu.

In: Journal of Chemical Physics, Vol. 124, No. 18, 184311, 23.05.2006.

Research output: Contribution to journalArticle

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N2 - 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+.

AB - 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+.

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