44947
二壬羰基铁
purum, ≥97.0% (Fe)
别名:
九碳二铁, 烯羰基二铁, 烯羰基铁
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关于此项目
线性分子式:
Fe2(CO)9
化学文摘社编号:
分子量:
363.78
UNSPSC Code:
12352300
PubChem Substance ID:
EC Number:
239-359-5
MDL number:
InChI key
JCXLZXJCZPKTBW-UHFFFAOYSA-N
InChI
1S/9CO.2Fe/c9*1-2;;
SMILES string
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].O=C1[Fe]2C(=O)[Fe]1C2=O
grade
purum
assay
≥97.0% (Fe)
reaction suitability
reagent type: catalyst
core: iron
storage temp.
2-8°C
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Sol. 2 - Water-react 2
存储类别
4.3 - Hazardous materials which set free flammable gases upon contact with water
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
法规信息
新产品
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Nu Xiao et al.
Dalton transactions (Cambridge, England : 2003), (4)(4), 603-608 (2006-01-13)
[{Micro-(phthalazine-N2:N3)}Fe2(micro-CO)(CO)6](1) reacts with organolithium reagents, RLi (R = CH3, C6H5, p-CH3C6H4, p-CH3OC6H4, p-CF3C6H4, p-C6H5C6H4), followed by treatment with Me3SiCl to give the novel diiron carbonyl complexes with a saturated N-N six-membered diazane ring ligand, [{C6H4CH(R)NNCH2}Fe2(C=O)(CO)6](2, R = CH3; 3, R
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
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
Luca Bertini et al.
The journal of physical chemistry. A, 110(47), 12900-12907 (2006-11-28)
The valence electronic excited states of Fe2(CO)9 have been studied using the time-dependent density functional theory (TDDFT). Both tribridged D3h and monobridged C2v structures have been considered, and the structure of selected low-lying singlet and triplet excited states have been
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