Structure and energetics of Fe2(CO)8 singlet and triplet ... - PubMed
Dec 6, 2007 · 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 …
Diiron nonacarbonyl - Wikipedia
Diiron nonacarbonyl is an organometallic compound with the formula Fe 2 (CO) 9. This metal carbonyl is a reagent in organometallic chemistry and of occasional use in organic synthesis. …
Structure and Energetics of Fe 2 (CO) 8 Singlet and ... - ResearchGate
Jan 1, 2008 · Starting from these two facts, the electronic structure of unbridged D (2d) Fe2 (CO)8 is discussed herein. Single-point energy computations at the coupled-cluster single and double …
(PDF) Structure and Energetics of Fe2(CO)8 Singlet and Triplet ...
The singlet and triplet state potential energy surfaces (PES) of Fe 2 (CO) 8 are explored by means of density functional theory (DFT) techniques. The two PES have different global …
Structure and bonding in binuclear metal carbonyls from the
Oct 9, 2008 · Similar discrepancies between the predictions of the 18-electron rule and DAFH analysis were found also in the case of the C (2v) isomer of the neutral Fe2 (CO)8 carbonyl, …
(PDF) Theoretical Study of Bonding, Structure, and Vibrational …
We therefore decided to undertake a theoretical study of the structure of the Fe2 (CO)8 fragment, both in the isolated dianion [Fe2 (CO)8]2- and in the adducts that it forms with electrophiles, in …
Synthesis and molecular structure of Fe2(CO)8[.mu.-CuP(tert …
Oct 1, 1992 · Synthesis and molecular structure of Fe2 (CO)8 [.mu.-CuP (tert-Bu)3]2: a distorted Fe2Cu2 core with a doubly Cu (PR3)-bridged iron-iron single bond. Cite this: Organometallics …
Structure and energetics of Fe2(CO)8 singlet and triplet electronic ...
The analysis of the computed CO stretching frequencies demonstrates that the experimental data for the unbridged form is compatible also with the unbridgeged triplet D(2d) isomer, and single …
Reaction of [Fe2(CO)8(μ-CF2)] with AsMe3 and Other Lewis Bases ...
Sep 27, 2006 · The difluorcarbene complex [Fe 2 (CO) 8 (μ-CF 2)] (2) reacts with AsMe 3 under CO substitution to give the μ-CF 2 containing complexes [Fe 2 (CO) 6 (AsMe 3) 2 (μ-CF 2)] (4) …
Is there an iron–iron bond in diiron nonacarbonyl?
Aug 27, 2017 · Diiron nonacarbonyl, [FeX2(CO)X9] [F e X 2 (C O) X 9], is often depicted with an Fe–Fe bond as shown at the left-hand side: The Fe—Fe bond is usually invoked in order to (1) …