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author:

Zhai, Hua-Jin (Zhai, Hua-Jin.) [1] | Chen, Wen-Jie (Chen, Wen-Jie.) [2] | Huang, Xin (Huang, Xin.) [3] | Wang, Lai-Sheng (Wang, Lai-Sheng.) [4]

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EI Scopus SCIE

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.

Keyword:

Community:

  • [ 1 ] [Zhai, Hua-Jin]Brown Univ, Dept Chem, Providence, RI 02912 USA
  • [ 2 ] [Wang, Lai-Sheng]Brown Univ, Dept Chem, Providence, RI 02912 USA
  • [ 3 ] [Chen, Wen-Jie]Fuzhou Univ, Dept Chem, Fuzhou 350108, Fujian, Peoples R China
  • [ 4 ] [Huang, Xin]Fuzhou Univ, Dept Chem, Fuzhou 350108, Fujian, Peoples R China
  • [ 5 ] [Chen, Wen-Jie]State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China
  • [ 6 ] [Huang, Xin]State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China

Reprint 's Address:

  • [Zhai, Hua-Jin]Brown Univ, Dept Chem, Providence, RI 02912 USA

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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:

WoS CC 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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