127253-35-4

Basic information

• Product Name: (CO)3Cr{P(C₆H₅)3}3
• CAS NO: 127253-35-4
• Molecular Weight: 922.9
• Mol File: 127253-35-4.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: (CO)3Cr{P(C₆H₅)3}3(CAS DataBase Reference)
• NIST Chemistry Reference: (CO)3Cr{P(C₆H₅)3}3(127253-35-4)
• EPA Substance Registry System: (CO)3Cr{P(C₆H₅)3}3(127253-35-4)

Safety Data

• Hazardous Substances Data: 127253-35-4(Hazardous Substances Data)

Upstream product

• 199620-14-9 chromium⁽⁰⁾ hexacarbonyl 
• 12083-24-8 tricarbonyl(η(6)-toluene)chromium 
• 603-35-0 triphenylphosphine 
• 12110-37-1 tricarbonyl(naphthalene)chromium⁽⁰⁾ 

Relevant articles and documents

Ground-state versus transition-state effects in arene displacement reactions of the complexes (η6-arene)Cr(CO)s: Linear dependence of transition-state energies and resonance energies of the arene ligands

The rates of displacement of arene and thiophene ligands by P(n-Bu)3 in decalin and PPh3 in toluene have been studied. The reactions are first order in complex and incoming ligand. Rates of reaction increase in the order benzene dimethylthiophene > triphenylene > phenanthrene > thiophene > naphthalene > anthracene > pyrene and spans about 7 kcal/mol. The combination of kinetic and thermodynamic data is used to construct reaction profiles for these reactions. On the basis of the assumption that the transition state occurs on the way to formation of (η4-arene)Cr(CO)3(L) a linear correlation exists between the enthalpy of formation of the transition-state complex and changes in resonance energy of the fused arene ligands attributable to localization of the π bonds of the proposed η4 intermediate. The rate of binding of C6H6 to (THF)3Cr(CO)3 is 10% slower than for C6D6, implicating the importance of (η1-C6H6)Cr(CO)3(THF) 2 as an intermediate on the pathway to formation of (η6-C6H6)-Cr(CO)3.