Tono Kensuke, Terasaki Akira, Ohta Toshiaki, Kondow Tamotsu
Department of Chemistry, School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033, Japan.
J Chem Phys. 2006 May 14;124(18):184311. doi: 10.1063/1.2196035.
The photodissociation of manganese oxide cluster cations Mn(N)O+ (N = 2-5), into Mn(N-1)O+ (one-atom loss) and Mn(N-2)O+ (two-atom), was investigated in the photon-energy range of 1.08-2.76 eV. The bond-dissociation energies D0(Mn(N-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 Mn2O+ did not dissociate even at the highest photon energy used, the bond dissociation energy of Mn2O+, D0(Mn+...MnO), was obtained from a density-functional-theory calculation to be 3.04 eV. The present findings imply that the core ion Mn2O+ is bound weakly with the rest of the manganese atoms in Mn(N)O+.
在1.08 - 2.76 eV的光子能量范围内，研究了氧化锰簇阳离子Mn(N)O⁺（N = 2 - 5）光解离为Mn(N - 1)O⁺（单原子损失）和Mn(N - 2)O⁺（双原子损失）的过程。根据单原子和双原子损失的阈值能量，确定N = 3、4和5时的键解离能D₀(Mn(N - 1)O⁺...Mn)分别为1.84±0.03、0.99±0.05和1.25±0.14 eV。由于即使在所用的最高光子能量下Mn₂O⁺也不会解离，通过密度泛函理论计算得到Mn₂O⁺的键解离能D₀(Mn⁺...MnO)为3.04 eV。目前的研究结果表明，核心离子Mn₂O⁺与Mn(N)O⁺中其余锰原子的结合较弱。
