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225460

Sigma-Aldrich

Diironnonacarbonyl

98%

Synonym(s):

Enneacarbonyldiiron, Iron enneacarbonyl, Nonacarbonyldiiron

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About This Item

Linear Formula:
Fe2(CO)9
CAS Number:
Molecular Weight:
363.78
EC Number:
MDL number:
UNSPSC Code:
12161600
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

98%

form

solid

reaction suitability

core: iron
reagent type: catalyst

storage temp.

2-8°C

SMILES string

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].O=C1[Fe]2C(=O)[Fe]1C2=O

InChI

1S/9CO.2Fe/c9*1-2;;

InChI key

JCXLZXJCZPKTBW-UHFFFAOYSA-N

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Application

Reacts with phenylsilanes to give triply bridged diiron complexes.

pictograms

FlameSkull and crossbones

signalword

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Sol. 2 - Water-react 2

Storage Class

4.3 - Hazardous materials which set free flammable gases upon contact with water

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges


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Kerber, R. C. et al.R. C.; Ribakove, E. C.
Organometallic News, 10, 2848-2848 (1991)
Gree, R.
Synthesis, 341-341 (1989)
Simons, R.S. Tessier, C.A.
Organometallics, 15, 2604-2604 (1996)
Luca Bertini et al.
The journal of physical chemistry. A, 111(48), 12152-12162 (2007-11-09)
The singlet and triplet state potential energy surfaces (PES) of Fe2(CO)8 are explored by means of density functional theory (DFT) techniques. The two PES have different global mimima: the dibriged C(2v) isomer for the singlet and the unbridged D(2d) isomer
Robert Ponec et al.
Journal of computational chemistry, 29(9), 1387-1398 (2008-01-16)
The nature of the bonding in the above carbonyls was studied using the analysis of domain averaged Fermi holes (DAFH). The results straightforwardly confirm the conclusions of earlier theoretical studies in which the existence of direct metal-metal bond, anticipated for

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