19019-92-2

Upstream product

• 563-80-4 3-methyl-butan-2-one 
• 103-65-1 n-propylbenzene radical cation 
• 873-66-5 1-propenylbenzene 
• 60-29-7 diethyl ether 
• 108-20-3 di-isopropyl ether 
• 111-43-3 Dipropyl ether 
• 142-96-1 dibutyl ether 
• 6863-58-7 di-2-butyl ether 
• 96-22-0 pentan-3-one 
• 100-42-5 styrene 
• 2229-07-4 methyl radical 
• 103-65-1 phenylpropane 
• 37904-83-9 3,5-diphenylheptan-4-one 
• 637-50-3 1-phenylpropene 

Relevant academic research and scientific papers

Supramolecular effects on the dynamics of radicals in MFI zeolites: A direct EPR investigation

Photolysis of the supramolecular complexes (dibenzyl ketones@ZSM-5) produced supramolecular complexes of benzyl radicals@ZSM-5, which were directly detected by CW-EPR spectroscopy, and provided information on the dynamics of the radicals. The lifetimes of

Determination of Hyperfine Splitting of Biradical Termini by Combining Biradical Trapping and Time-Resolved ESR Techniques

ESR detection of spin-polarized short-lived biradicals has been shown to be a valuable tool in studying the mechanisms of photochemical reactions and in the investigation of the properties of biradicals.However, some important spectroscopic features of th

Monomer- and polymer radicals of vinyl compounds: EPR and DFT studies of geometric and electronic structures in the adsorbed state

Electron paramagnetic resonance (EPR) spectroscopy was applied to study the paramagnetic species formed from styrene, 1,1-diphenylethylene, α-methylstyrene, β-methylstyrene and methylmethacrylate adsorbed on amorphous silica gel after γ-irradiation at 77

Reaction of tert-alkoxyl and alkyl radicals with styrene studied by the nitroxide radical-trapping technique

The reactions of tert-alkyl peroxypivalates 1 (R = methyl, ethyl, and n- propyl) with styrene in the presence of the free-radical scavenger (1,1,3,3- tetramethyl-2,3-dihydro-1H-isoindol-2-yl)oxyl (2) have been studied at 60 °C. tert-Butyl and tert-alkoxyl radicals (tert-butoxyl, tert-pentyloxyl, and tert-hexyloxyl radicals) were generated from the thermolysis of 1, and the derivative alkyl radicals (methyl, ethyl, n-propyl, and 4-hydroxy-4- methylpentyl radicals) were formed by subsequent unimolecular reactions (β- scission and 1,5-H shift) of the corresponding tert-alkoxyl radicals. The extent of the unimolecular reactions of the tert-alkoxyl radicals (versus addition to styrene) and the relative reactivity of alkyl radicals toward addition to styrene were obtained from the competitive addition/trapping reactions. The absolute rate constants for the addition of tert-butyl, ethyl, methyl, and n-propyl radicals to styrene at 60 °C were estimated to be (7.4, 4.7, 5, and 5.4) x 105 M-1 s-1, respectively.

Absorption Spectra and Photochemical Rearrangements of Alkyl- and Dialkylbenzene Cations in Solid Argon

Matrix photoionization of alkyl- and dialkylbenzenes produced and trapped the parent radical cations.Irradiation in the visible parent cation absorption induced α-H transfer to the cation ring to give substituted methylenecyclohexadiene cations.The ease of 1,3-hydrogen transfer in these experiments suggests that this may be an important rearrangement in gaseous alkylbenzene cations.Subsequent ultraviolet photolysis of these samples produced substituted styrene cations.

Carbon-Hydrogen Bond Dissociation Energies in Alkylbenzenes. Proton Affinities of the Radicals and the Absolute Proton Affinity Scale

Rate constants (k) were measured for proton-transfer reactions from alkylbenzene ions RH+ to a series of reference bases B, i.e., RH+ + B -> BH+ + R*.For exothermic reactions (ΔH -1.For example, the reaction C6H5CH3+ + B -> BH+ + C6H5CH2* is fast (reaction efficiency = k/kcol >/= 0.5) when B = MeO-t-Bu or stronger bases, but k/kcol is significantly smaller when B is n-Pr2O or weaker bases.From the falloff curve of reaction efficiency vs.PA(B), we find PA(n-Pr2O) = PA(C6H5CH2*) + 0.8 kcal mol-1 = 200.0 kcal mol-1.Since PA(C6H5CH2*) is obtained from known thermochemical data, this relation defines the absolute PA of n-Pr2O.Through a ladder of known PA, we then obtain PA(i-C4H8) = 186.8 kcal mol-1; we also obtain the absolute PAs of other oxygen bases.Falloff curves of reaction efficiencies of 3-FC6H4CH3+, C6H5C2H5+, C6H5-n-C3H7+, and C6H5-i-C3H7+ with these reference bases give then the following PAs of R* and R-H bond dissociation energies (Do) (all in kcal mol-1) as R*, PA(R*), Do(R-H): 3-FC6H4CH2*, 197.2, 89.4; , 197.9, 86.2; , 199.1, 86.1; , 199.6, 86.1.In similar manner, rate constants for H+ transfer from C6H5NH2+ to reference pyridines and amines yield PA(C6H5NH*) = 221.5 and Do(C6H5NH-H) = 85.1 kcal mol-1 (1 kcal mol-1 = 4.18 kJ mol-1).

Absorption Spectra and Photochemical Rearrangements in Phenylalkene Cations in Solid Argon

Matrix photoionization experiments with phenylalkenes produced and trapped the parent molecular cations in solid argon at 20 K.In the substituted styrene cation cases, structure was resolved in red and ultraviolet absorption bands and assigned to Ph-C stretching and Ph-C=C bending modes.Molecular ion rearrangements were observed during sample formation and upon the photolysis of the cold sample; allylbenzene cation rearranged to β-methylstyrene cation and indan cation with 290 nm irradiation.The matrix absorption bands were substantially sharper than photodissociati on spectra, which suggests that excess internal energy may contribute substantially to the bandwidth of gaseous molecular ions produced by electron impact.