12277-22-4

Basic information

• Product Name: 1.3.5-(O₂N)3C₆H₃*C₆H₅C₆H₅Cr(CO)3
• CAS NO: 12277-22-4
• Molecular Weight: 503.345
• Mol File: 12277-22-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1.3.5-(O₂N)3C₆H₃*C₆H₅C₆H₅Cr(CO)3(CAS DataBase Reference)
• NIST Chemistry Reference: 1.3.5-(O₂N)3C₆H₃*C₆H₅C₆H₅Cr(CO)3(12277-22-4)
• EPA Substance Registry System: 1.3.5-(O₂N)3C₆H₃*C₆H₅C₆H₅Cr(CO)3(12277-22-4)

Safety Data

• Hazardous Substances Data: 12277-22-4(Hazardous Substances Data)

Upstream product

• 12111-60-3 (biphenyl)tricarbonylchromium 
• 99-35-4 1,3,5-trinitrobenzene 

Relevant articles and documents

Molecular complex formation of tricarbonyl(η6-[2.2]paracyclophane)chromiuin and l,3,5-trinitrobenzene

Tricarbonyl(η6-[2.2]paracyclophane)chromium (([2.2]paracyclophane)Cr(CO)3) forms a charge-transfer complex with 1,3,5-trinitrobenzene (1,3,5-TNB) in 1,2-dichloroethane. The ionization potential of ([2.2]paracyclophane)Cr(CO)3 was determined to be 7.2 eV from the observed intermolecular charge-transfer transition energy. The value was close to those obtained for the usual chromium tricarbonyl complexes with η6-coordinated benzene derivatives. In solution, the acceptor molecule is more likely to interact directly with the chromium d orbital lobes by sitting beneath the base of the pyramid formed by three metal-carbonyl bonds rather than by stacking on the aromatic ring as in the usual aromatic molecular complexes. This is also supported by the fact that some other chromium-carbonyl complexes without an η6-coordinated aromatic ring also exhibit spectral evidence of complex formation with 1,3,5-TNB.