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Abstract:
The structure and chemical bonding in the Re3O3- cluster are investigated using photoelectron spectroscopy and density-functional theory calculations. Vibrationally-resolved photoelectron spectra were obtained, yielding an accurate electron affinity (2.54 +/- 0.02 eV) and a ground- state Re=O stretching frequency (960 +/- 30 cm(-1)) for the Re3O3 neutral cluster. It is shown that the Re3O3- cluster possesses a C-2v ((1)A(1)) ground- state structure consisting of a Re-3 triangle with one bridging and two terminal oxygens. Molecular orbital analysis reveals that the Re-3 core in Re3O3- possesses conflicting d-orbital aromaticity (pi-antiaromatic and sigma-aromatic), consistent with its C-2v symmetry. Well-resolved photodetachment transitions from the Re 5d(z)(2) delta orbitals allow the bond strength and resonance energy of a delocalized delta-bond to be estimated.
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RSC ADVANCES
ISSN: 2046-2069
Year: 2012
Issue: 7
Volume: 2
Page: 2707-2712
2 . 5 6 2
JCR@2012
3 . 9 0 0
JCR@2023
ESI Discipline: CHEMISTRY;
JCR Journal Grade:2
CAS Journal Grade:3
Cited Count:
SCOPUS Cited Count:
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 2
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