81315-55-1

Basic information

• Product Name: {PPN}{(tungsten)(pentacarbonyl)I}
• CAS NO: 81315-55-1
• Molecular Weight: 989.395
• Mol File: 81315-55-1.mol

Chemical Properties

• CAS DataBase Reference: {PPN}{(tungsten)(pentacarbonyl)I}(CAS DataBase Reference)
• NIST Chemistry Reference: {PPN}{(tungsten)(pentacarbonyl)I}(81315-55-1)
• EPA Substance Registry System: {PPN}{(tungsten)(pentacarbonyl)I}(81315-55-1)

Safety Data

• Hazardous Substances Data: 81315-55-1(Hazardous Substances Data)

Upstream product

• 113669-28-6 {PPN}{(methyl)iron(tungsten)(carbonyl)9} 
• 14040-11-0 tungsten hexacarbonyl 
• 99604-07-6 {PPN}2{iron(tungsten)(carbonyl)9} 

Downstream Products

• 19773-10-5 {W₂H(CO)10}^(1-) 
• 81293-90-5 W(CO)4(BH₄)^(1-)*((C₆H₅)3P)2N⁽¹⁺⁾=W(CO)4(BH₄)((C₆H₅)3P)2N 
• 81293-88-1 W₂H₂(CO)8^(2-)*2((C₆H₅)3P)2N⁽¹⁺⁾=W₂H₂(CO)8(((C₆H₅)3P)2N)2 

Relevant articles and documents

Promotion of Me/CO migratory insertion by transition-metal Lewis acids. Synthesis and reactivity of a transition-metal heterobimetallic carbonyl alkyl anion, MeFeW(CO)9-

The heterobimetallic alkyl anion 1 was prepared by alkylation of FeW(CO)92- using MeI or MeOTs. Addition of the monometallic MeFe(CO)4- to a solution of W(CO)5·THF produced the same product. Spectroscopic data indicated the structure of 1 to be analogous to that of HFeW(CO)9- or Ph3AuFeW(CO)9-, i.e., containing octahedral metal centers with a CH3 group bound to Fe, cis to the Fe-W bond. A comparative rate study of the reaction of with monomeric MeFe(CO)4- and with 1 indicated the promotional effect of W(CO)50 for the Me/CO migratory insertion reaction. There was no reaction of MeFe(CO)4- with CO2, whereas bimetallic 1 readily added CO2 yielding MeC(O)OW(CO)5-. With CS2 a heterobimetallic, formulated as μ-MeCS2FeW(CO)8-, was produced.

Improved synthesis, chemistry, and X-ray and neutron diffraction studies of [(Ph3P)2N]+2[H2W 2(CO)8]2-

The compound [(Ph3P)2N]+2[H2W 2(CO)8]2- has been synthesized in 65% yield from the reaction of [(Ph3P)2N]+[BH4]- with [(Ph3P)2N]+[W(CO)5(I)]- in refluxing THF. The dianion reacts with BH3·THF in THF to produce [(Ph3P)2N]+[W(CO)4(BH 4)]- in 60% yield. The structure of [(Ph3P)2N]+2[H2W 2(CO)8]2- has been studied with X-ray and neutron diffraction techniques at room temperature and 28 K, respectively. The [H2W2(CO)8]2- anion has approximately D2h symmetry with a planar W(μ-H)2W bridge, confirming the earlier X-ray results by Churchill and co-workers on [Et4N]+2[H2W2(CO) 8]2-. In the [(Ph3P)2N]+ salt, the anions are situated on crystallographic inversion centers, and distances and angles in the W(μ-H)2W core are as follows: W-H = 1.920 (3) and 1.933 (2) A?, W?W = 3.010 (2) A?, H?H = 2.405 (3) A?, W-H-W = 102.7 (1)°, H-W-H = 77.3 (1)°, and H-W-W = 38.78 (6) and 38.48 (6)°. The two bridging H atoms are displaced slightly from the intersections of the trans CO-metal vectors in the direction of the metal-metal axis. The [(Ph3P)2N]+ cation has the usual bent P-N-P configuration, but the phenyl rings are in an uncommon staggered conformation. Crystal data from the neutron diffraction analysis of [(Ph3P)2N]+2[H2W 2(CO)8]2- at 28 K: space group P1; a = 12.949 (1), b = 13.871 (2), c = 11.000 (1) A?; α = 110.828 (8), β = 105.788 (9), γ = 69.334 (8)°; V = 1703.4 (4) A?3; Z = 1. Final agreement factors were R(F) = 0.027 for 5206 neutron reflections with I ≥ σ(I) and R(F) = 0.040 for 4238 X-ray reflections with I ≥ 3σ(I).