102829-88-9

Basic information

• Product Name: W(CO)(CH₃C₂CH₃)(P(C₆H₅)3)2Cl₂
• CAS NO: 102829-88-9
• Molecular Weight: 861.44
• Mol File: 102829-88-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: W(CO)(CH₃C₂CH₃)(P(C₆H₅)3)2Cl₂(CAS DataBase Reference)
• NIST Chemistry Reference: W(CO)(CH₃C₂CH₃)(P(C₆H₅)3)2Cl₂(102829-88-9)
• EPA Substance Registry System: W(CO)(CH₃C₂CH₃)(P(C₆H₅)3)2Cl₂(102829-88-9)

Safety Data

• Hazardous Substances Data: 102829-88-9(Hazardous Substances Data)

Upstream product

• 503-17-3 dimethylacetylene 
• 18130-04-6 bis(triphenylphosphine)tungsten tricarbonyl dichloride 

Relevant articles and documents

Molybdenum(II) and tungsten(II) M(CO)(RC2R′)L2X2 alkyne complexes

A series of molybdenum and tungsten alkyne complexes, M(CO)(RC2R′)L2X2 (various combinations of M = Mo, W; L = PPh3, PEt3, py; L2 = dppe (Ph2PCH2CH2PPh2); X = Cl, Br), has been prepared by treating M(CO)nL2X2 (n = 2 or 3) reagents with free alkyne. Nuclear magnetic resonance, infrared, and electronic absorption spectroscopies have been used to probe the metal-alkyne bonding interaction. Both 1H and 13C NMR chemical shift values for the alkyne ligands are compatible with a four-electron donor description for the alkyne ligands in these complexes. Dynamic NMR studies of complexes containing 2-butyne revealed metal-alkyne rotational barriers ranging from 9 to 13 kcal/mol. The structure of Mo(CO)(PhC2H)(PEt3)2Br2 has been determined and refined to R = 0.048 and Rw = 0.035 using 1660 reflections [monoclinic, P21/n; a = 7.995 (3) ?, b = 14.559 (4) ?, c = 22.209 (10) ?; β = 98.04 (3)°; Z = 4]. The molecule adopts a distorted octahedral geometry with the alkyne cis and parallel to the carbon monoxide ligand. The phosphine ligands are mutually trans with the bromides cis. Strong metal-alkyne bonding is evident in the short M-C distances (1.99-? average). The molecule possesses effective Cs symmetry with Mo, Br1, Br2, CO, and the entire alkyne, including the phenyl substituent, defining the mirror plane.