644967-72-6

Basic information

• Product Name: (η5-C5Me5)2Yb(1-phenylpropyne)
• CAS NO: 644967-72-6
• Molecular Weight: 559.661
• Mol File: 644967-72-6.mol

Chemical Properties

• CAS DataBase Reference: (η5-C5Me5)2Yb(1-phenylpropyne)(CAS DataBase Reference)
• NIST Chemistry Reference: (η5-C5Me5)2Yb(1-phenylpropyne)(644967-72-6)
• EPA Substance Registry System: (η5-C5Me5)2Yb(1-phenylpropyne)(644967-72-6)

Safety Data

• Hazardous Substances Data: 644967-72-6(Hazardous Substances Data)

Upstream product

• 673-32-5 1-Phenylprop-1-yne 
• 75764-11-3 bis(pentamethylcyclopentadienyl)ytterbium 

Relevant articles and documents

Bonding of H2, N2, Ethylene, and Acetylene to Bivalent Lanthanide Metallocenes: Trends from DFT Calculations on Cp 2M and Cp*2 M (M = Sm, Eu, Yb) and Experiments with Cp*2Yb

The results of DFT calculations have been used to define the trends in the interactions of H2, N2, C2H4, C 2H2, and C2Me3 with the bivalent lanthanide metallocenes Cp2M (Cp = η5C 5H5) and Cp*2M (Cp* = η 5-C2Me5), where M = Sm, Eu, Yb. These results, together with those previously published for the bonding of CO to Cp 2M (M = Ca, Eu, Yb), suggest that the interaction of these ligands with the lanthanide metallocenes results from a subtle balance between attractive (dipole-dipole or dipole-induced dipole) and repulsive (electron-electron repulsion within the f shell) forces. The balance between the attractive and repulsive forces, and therefore the net bond energy, depends on the f-electron count in these bivalent lanthanide metallocenes. The computational results are compared with experimental observations on paramagnetic Cp*2Eu and diamagnetic ytterbocene, Cp* 2Yb.