191605-68-2

Basic information

• Product Name: [(C₅H₅)Ru(PPh₃)2(=C=C=(2,7-dimethyl-4,5-benzocycloheptatrienylidene))]PF₆
• CAS NO: 191605-68-2
• Molecular Weight: 1027.97
• Mol File: 191605-68-2.mol

Chemical Properties

• CAS DataBase Reference: [(C₅H₅)Ru(PPh₃)2(=C=C=(2,7-dimethyl-4,5-benzocycloheptatrienylidene))]PF₆(CAS DataBase Reference)
• NIST Chemistry Reference: [(C₅H₅)Ru(PPh₃)2(=C=C=(2,7-dimethyl-4,5-benzocycloheptatrienylidene))]PF₆(191605-68-2)
• EPA Substance Registry System: [(C₅H₅)Ru(PPh₃)2(=C=C=(2,7-dimethyl-4,5-benzocycloheptatrienylidene))]PF₆(191605-68-2)

Safety Data

• Hazardous Substances Data: 191605-68-2(Hazardous Substances Data)

Upstream product

• 32993-05-8 chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium (II) 
• 191605-63-7 C₁₁H₆(CH₃)2(OH)CCH 

Relevant articles and documents

Ruthenium(II) complexes with (2,4,6-cycloheptatrien-1-ylidene)ethenylidene ligands: Strongly polarized allenylidene complexes

The syntheses of cationic ruthenium(II) allenylidene complexes [(1a-e)PF6] of the type [CpRu(=C=C=CR2)(PPh3)2]PF6 (1a, R2C: = cycloheptatrienylidene; 1b, R2C: = 2,7-dimethyl4,5-benzocycloheptatrienylidene; 1c, R2C: = 2,7-diphenyl-4,5-benzocycloheptatrienylidene; 1d, R2C: = dibenzo[a,e]cycloheptatrienylidene; 1e, R2C: = 4,5-dihydrodibenzo[a,e]cycloheptatrienylidene) are reported. In the series 1a-e, the decreasing ability of R2C: to stabilize a positive charge results in a tuning of the electronic and optical properties by changing the relative contributions of the two canonical forms [Ru+]=C=C=CR2 (A) and [Ru]-C=C-CR2+ (B), which is studied particularly by NMR and UV/visible spectroscopy. The first molecular hyperpolarizabilitiy β of (1b)PF6 has been determined by hyper Raleigh scattering. The X-ray crystal structures of (1b)PF6, (1d)PF6·CH2Cl2, and the acetylide complex CpRu(C=C-C7H7-2,4,6)(PPh3)2 are presented.