4.8 Article

Deciphering the Superatomic Behavior of Group V Metal Monoxides

Journal

JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume 12, Issue 31, Pages 7636-7640

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.1c01971

Keywords

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Funding

  1. National Science Foundation of China [21873003, 91961107, 21473193]
  2. Postdoctoral Science Foundation of China [2018M642561]
  3. University Cooperation and Innovation Program of Anhui Province [GXXT 2020-004]

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The valence orbitals of Group V metal monoxides exhibit atomic-like properties similar to coinage metal element atoms, despite having more complicated electronic states for molecules, and concomitant mimicry of magnetic superatom. Generally, other than low-spin states of coinage metal atoms, Group V metal monoxides demonstrate a high-spin state except for TaO, possessing the potential applications to inexpensive superatoms in industrial catalysis.
The valence orbitals of Group V metal monoxides exhibit atomic-like properties which mimic that of coinage metal element atoms. The electronic structures of MO-1/0 (M = V, Nb, and Ta) have been determined by negative ion photoelectron velocity map imaging. Electron affinities and vibrational frequencies for the ground state and excited states of MO (M = V, Nb, and Ta) molecules have been identified as well as photoelectron angular distributions. On the basis of the equivalent-electron principle, MO- (M = V, Nb, and Ta) molecules bear valence electron configurations similar to those of coinage metal elemental atoms, despite having more complicated electronic states for molecules, and concomitant mimicry of magnetic superatom. Generally, other than low-spin states of coinage metal atoms, Group V metal monoxides demonstrate a high-spin state except for TaO, possessing the potential applications to inexpensive superatoms in industrial catalysis.

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