52947-05-4Relevant articles and documents
Coordination behaviors of diphenylketene adsorbed in the nanocages of zeolite NaY and AgY
Shibata, Shintaro,Masui, Yoichi,Onaka, Makoto
, p. 663 - 670 (2020/12/29)
We investigated in detail how polar cumulene molecules like diphenylketene were accommodated in faujasite zeolite pores based on 13C CP/MAS and DD/MAS NMR analyses as well as quantum chemical calculations after adsorbing the molecule into the zeolite NaY or AgY having “hard” sodium ions or “soft” silver ions. Since the diphenylketene has such a specific structure that a carbonyl group (a hard base) is accumulated by a carbon-carbon double bond (a soft π base), which is conjugated with two benzene rings (soft π bases), it is possible for the diphenylketene to adopt multicoordination modes to different metal ions in the zeolite. Compared with the coordination modes of benzophenone and 1,1-diphenylethene adsorbed in the NaY and AgY, those of diphenylketene were identified, and specific coordination behaviors in the zeolite’s supercages were classified depending on the hard or soft metal characters: The C=O and phenyl coordination modes to Na+ in NaY prevail, while the C=C and phenyl coordination to Ag+ in AgY is favored. We also unveiled the difference in the molecular mobility depending on the types of cations in the zeolite by comparing the 13C CP/MAS and DD/MAS NMR spectra.
Convenient syntheses of [18O]Benzyl alcohol and [13C-carboxy,18O1]Benzoic acid of high isotopic purity
Young, David J.,Robinson, Michael J.T.
, p. 121 - 126 (2007/10/03)
The title compounds may be prepared with high isotopic incorporation and in good yield.
Reaction Mechanisms of Gaseous Organic Cations. 20. Reactivity of Ionized 3-Phenylisoxazol-5(4H)-one
Liguori, Angelo,Sindona, Giovanni,Uccella, Nicola
, p. 4450 - 4453 (2007/10/02)
The chemistry of ionized 3-phenylisoxazol-5(4H)-one, which is relatively slow reacting in the gas phase, has been investigated by analysis of the mass-analyzed ion kinetic energy spectrum (MIKES), kinetic energy release, appearance energy, exact mass measurements and D, (15)N, (13)C labeling.Appropriate experiments show that the N,O-heterocyclic radical cations under study undergo unimolecular dissociations leading to the formation of benzoyl and formanilinium cations through pathways which involve phenyl migration.PhCO+ fragment ion formation must occur through a reaction channel akin to a thermochemical process.This implies a deep skeletal reorganization similar to an electrophilic substitution onto the aromatic ring and excludes the occurence of photochemical-like activation giving rise to isoxazole-oxazole ring isomerization.The decomposing ions possess, therefore, only a small excess energy, and have to follow only low-lying reaction channels.