137966-97-3

Basic information

• Product Name: (C₅H₅)2Nb(CO)(P(CH(CH₃)2)C₆H₅)
• Synonyms: (C₅H₅)2Nb(CO)(P(CH(CH₃)2)C₆H₅)
• CAS NO: 137966-97-3
• Molecular Weight: 402.274
• Mol File: 137966-97-3.mol

Chemical Properties

• CAS DataBase Reference: (C₅H₅)2Nb(CO)(P(CH(CH₃)2)C₆H₅)(CAS DataBase Reference)
• NIST Chemistry Reference: (C₅H₅)2Nb(CO)(P(CH(CH₃)2)C₆H₅)(137966-97-3)
• EPA Substance Registry System: (C₅H₅)2Nb(CO)(P(CH(CH₃)2)C₆H₅)(137966-97-3)

Safety Data

• Hazardous Substances Data: 137966-97-3(Hazardous Substances Data)

Upstream product

• 137966-98-4 (C₅H₅)2Nb(CO)(P(CH(CH₃)2)C₆H₅(H))⁽¹⁺⁾*Cl^(1-)={(C₅H₅)2Nb(CO)(P(CH(CH₃)2)C₆H₅(H))}Cl 

Relevant articles and documents

Synthesis and structure of the niobium(III) phosphido complex (C5H5)2Nb(CO)(PiPrPh): Efficient gauche effect and low inversion barrier in bent-metallocene chemistry

Reaction of Cp2Nb(CO)H with PiPrPhCl afforded the ionic product [Cp2Nb(CO)(PiPrPhH)]Cl, which upon treatment with NaOH gives the neutral niobium phosphido complex Cp2Nb(CO)(PiPrPh) (1). 1 crystallizes in the monoclinic space group P21/c, with a = 16.899 (3) ?, b = 15.409 (2) ?, c = 13.717 (3) ?, β = 90.94 (2)°, V = 3571.2 ?3, Z = 8, and R = 0.038, with two independent chiral molecules in the asymmetric unit of the unit cell. One of them is related to the other by rough translation by a half of the lattice vector a. The torsion angles in both molecules involving the metal and the phosphorus lone pairs are close to 73°, thus indicating an efficient operation of the gauche effect . The origin of the observed low inversion barrier at phosphorus is discussed.