299197-81-2

Basic information

• Product Name: ((Z,Z)-cycloocta-1,5-diene){(R)-(6,6'-dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphine)}rhodium(I) tetrafluoroborate
• CAS NO: 299197-81-2
• Molecular Weight: 880.512
• Mol File: 299197-81-2.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: ((Z,Z)-cycloocta-1,5-diene){(R)-(6,6'-dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphine)}rhodium(I) tetrafluoroborate(CAS DataBase Reference)
• NIST Chemistry Reference: ((Z,Z)-cycloocta-1,5-diene){(R)-(6,6'-dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphine)}rhodium(I) tetrafluoroborate(299197-81-2)
• EPA Substance Registry System: ((Z,Z)-cycloocta-1,5-diene){(R)-(6,6'-dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphine)}rhodium(I) tetrafluoroborate(299197-81-2)

Safety Data

• Hazardous Substances Data: 299197-81-2(Hazardous Substances Data)

Upstream product

• 133577-92-1 (R)-(6,6'-dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphine) 

Relevant articles and documents

Electronically and sterically induced structural distortions in square-planar d8 complexes

The solid-state structure of the cationic MeO-Biphep Rh(I) compound [Rh((S)-MeO-Biphep)-(P{OMe}3)2)]BF4 (3) has been determined by X-ray diffraction. The four P-donors deviate markedly from square-planar geometry, with the phosphite ligands P2 and P2′ ca. ± 0.61(7) angstrom from P1-Rh-P1′ plane. This distortion resembles that found for PdBr(p-NCC6H4)-((S)-MeO-Biphep) (1). Density functional calculations on a series of systematically varied models of 1 reveal three major components to be responsible for the observed distortion from square-planar geometry: (i) attractive aromatic ring ?-? interactions, (ii) electronic stabilization of coplanar aromatic rings in pseudo-trans positions, and (iii) P-phenyl and MeO-Biphep-phenyl intraligand repulsive steric interactions. Additional DFT studies on the p-tolyl-Binap analogue of 1, PdBr(p-NCC6H4)((R)-p-Tol-Binap) (2), explain the source of the extremely long Pd-P2 bond distance, 2.437(1) angstrom, in 2. Despite the structural similarity between 1 and 2, the calculations rationalize the observation of a pronounced distortion from a square-planar geometry in the former that is essentially absent in the latter.