260405-66-1

Basic information

• Product Name: pentafluorophenyldifluoroxenonium(IV) tetrafluoroborate
• Synonyms: pentafluorophenyldifluoroxenonium(IV) tetrafluoroborate
• CAS NO: 260405-66-1
• Molecular Weight: 423.149
• Mol File: 260405-66-1.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: pentafluorophenyldifluoroxenonium(IV) tetrafluoroborate(CAS DataBase Reference)
• NIST Chemistry Reference: pentafluorophenyldifluoroxenonium(IV) tetrafluoroborate(260405-66-1)
• EPA Substance Registry System: pentafluorophenyldifluoroxenonium(IV) tetrafluoroborate(260405-66-1)

Safety Data

• Hazardous Substances Data: 260405-66-1(Hazardous Substances Data)

Upstream product

• 13709-61-0 xenon(IV) fluoride 
• 830-49-9 difluoro (pentafluorophenyl)borane 

Downstream Products

• 392-56-3 Hexafluorobenzene 
• 775-51-9 octafluorocyclohexa-1,4-diene 
• 355-75-9 decafluorocyclohex-1-ene 
• 13709-36-9 xenon difluoride 
• 7637-07-2 boron trifluoride 
• 151042-09-0 (heptafluorocyclohexa-1,4-dien-1-yl)xenonium 
• 118798-75-7 tris(pentafluorophenyl)bismuth difluoride 
• 75-10-5 Difluoromethane 
• 593-70-4 R₃₂ 
• 75-46-7 trifluoromethan 
• 344-07-0 1-chloro-2,3,4,5,6-pentafluorobenzene 
• 363-72-4 Pentafluorobenzene 
• 215500-01-9 pentafluorophenylxenonium(II) tetrafluoroborate 

Relevant articles and documents

Xenon(IV)-carbon bond of [C6F5XeF2]+; Structural characterization and bonding of [C6F5XeF2][BF4], [C6F5XeF2][BF4]·2HF, and [C6F5XeF2][BF4]· n NCCH 3 (n = 1, 2); And the fluorinating properties of [C6F5XeF2][BF4]

The [C6F5XeF2]+ cation is the only example of a XeIV-C bond, which had only been previously characterized as its [BF4]- salt in solution by multi-NMR spectroscopy. The [BF4]- salt and its new CH3CN and HF solvates, [C6F5XeF2][BF4]·1.5CH3CN and [C6F5XeF2][BF4]·2HF, have now been synthesized and fully characterized in the solid state by lowerature, single-crystal X-ray diffraction and Raman spectroscopy. Crystalline [C6F5XeF2][BF4] and [C6F5XeF2][BF4]·1.5CH3CN were obtained from CH3CN/CH2Cl2 solvent mixtures, and [C6F5XeF2][BF4]·2HF was obtained from anhydrous HF (aHF), where [C6F5XeF2][BF4]·1.5CH3CN is comprised of an equimolar mixture of [C6F5XeF2][BF4]·CH3CN and [C6F5XeF2][BF4]·2CH3CN. The crystal structures show that the [C6F5XeF2]+ cation has two short contacts with the F atoms of [BF4]- or with the F or N atoms of the solvent molecules, HF and CH3CN. The lowerature solid-state Raman spectra of [C6F5XeF2][BF4] and C6F5IF2 were assigned with the aid of quantum-chemical calculations. The bonding in [C6F5XeF2]+, C6F5IF2, [C6F5XeF2][BF4], [C6F5XeF2][BF4]·CH3CN, [C6F5XeF2][BF4]·2CH3CN, and [C6F5XeF2][BF4]·2HF was assessed with the aid of natural bond orbital analyses and molecular orbital calculations. The 129Xe, 19F, and 11B NMR spectra of [C6F5XeF2][BF4] in aHF are reported and compared with the 19F NMR spectrum of C6F5IF2, and all previously unreported J(129Xe-19F) and J(19F-19F) couplings were determined. The long-term solution stabilities of [C6F5XeF2][BF4] were investigated by 19F NMR spectroscopy and the oxidative fluorinating properties of [C6F5XeF2][BF4] were demonstrated by studies of its reactivity with K[C6F5BF3], Pn(C6F5)3 (Pn = P, As, or Bi), and C6F5X (X = Br or I).