Abstract
Attachment of the redox-active C 60(H)PPh 2 group modulates the electronic structure of the Fe 2 core in [(μ-bdt)Fe 2(CO) 5(C 60(H)PPh 2)]. The neutral complex is characterized by X-ray crystallography, IR, NMR spectroscopy, and cyclic voltammetry. When it is reduced by one electron, the spectroscopic and density functional theory results indicate that the Fe 2 core is partially spin-populated. In the doubly reduced species, extensive electron communication occurs between the reduced fullerene unit and the Fe 2 centers as displayed in the spin-density plot. The results suggest that the [4Fe4S] cluster within the H cluster provides an essential role in terms of the electronic factor.
| Original language | English |
|---|---|
| Pages (from-to) | 5997-5999 |
| Number of pages | 3 |
| Journal | Inorganic Chemistry |
| Volume | 51 |
| Issue number | 11 |
| DOIs | |
| Publication status | Published - 2012 Jun 4 |
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All Science Journal Classification (ASJC) codes
- Physical and Theoretical Chemistry
- Inorganic Chemistry
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Electron delocalization from the fullerene attachment to the diiron core within the active-site mimics of [FeFe]hydrogenase. / Liu, Yu Chiao; Yen, Tao Hung; Tseng, Yu Jan; Hu, Ching Han; Lee, Gene Hsiang; Chiang, Ming Hsi.
In: Inorganic Chemistry, Vol. 51, No. 11, 04.06.2012, p. 5997-5999.Research output: Contribution to journal › Article
TY - JOUR
T1 - Electron delocalization from the fullerene attachment to the diiron core within the active-site mimics of [FeFe]hydrogenase
AU - Liu, Yu Chiao
AU - Yen, Tao Hung
AU - Tseng, Yu Jan
AU - Hu, Ching Han
AU - Lee, Gene Hsiang
AU - Chiang, Ming Hsi
PY - 2012/6/4
Y1 - 2012/6/4
N2 - Attachment of the redox-active C 60(H)PPh 2 group modulates the electronic structure of the Fe 2 core in [(μ-bdt)Fe 2(CO) 5(C 60(H)PPh 2)]. The neutral complex is characterized by X-ray crystallography, IR, NMR spectroscopy, and cyclic voltammetry. When it is reduced by one electron, the spectroscopic and density functional theory results indicate that the Fe 2 core is partially spin-populated. In the doubly reduced species, extensive electron communication occurs between the reduced fullerene unit and the Fe 2 centers as displayed in the spin-density plot. The results suggest that the [4Fe4S] cluster within the H cluster provides an essential role in terms of the electronic factor.
AB - Attachment of the redox-active C 60(H)PPh 2 group modulates the electronic structure of the Fe 2 core in [(μ-bdt)Fe 2(CO) 5(C 60(H)PPh 2)]. The neutral complex is characterized by X-ray crystallography, IR, NMR spectroscopy, and cyclic voltammetry. When it is reduced by one electron, the spectroscopic and density functional theory results indicate that the Fe 2 core is partially spin-populated. In the doubly reduced species, extensive electron communication occurs between the reduced fullerene unit and the Fe 2 centers as displayed in the spin-density plot. The results suggest that the [4Fe4S] cluster within the H cluster provides an essential role in terms of the electronic factor.
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U2 - 10.1021/ic3007298
DO - 10.1021/ic3007298
M3 - Article
C2 - 22591027
AN - SCOPUS:84861941954
VL - 51
SP - 5997
EP - 5999
JO - Inorganic Chemistry
JF - Inorganic Chemistry
SN - 0020-1669
IS - 11
ER -