## Abstract In the methane chemical ionization mass spectra of allyl phenylacetate and allyl phenoxyacetate the major reaction paths (>40%ฯ) involve skeletal rearrangements, which have no analogy in the corresponding, simpler electronโimpact spectra. Substituent and deuterium labeling studies sugge
Ionization of fluorobullvalene. Proton rearrangements in protonated naphthalene
โ Scribed by Saunders, Martin; Jarret, Ronald M.
- Book ID
- 126868055
- Publisher
- American Chemical Society
- Year
- 1986
- Tongue
- English
- Weight
- 410 KB
- Volume
- 51
- Category
- Article
- ISSN
- 0022-3263
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๐ SIMILAR VOLUMES
The absolute proton affinity (PA) of aromatic carbons of monosubstituted naphthalenes with CH 3 , OH, CHO, NO 2 and Cl substituents was calculated at the MP2(fc)/6-31G\*\*//HF/6-31G\* ZPVE(HF/6-31G\*) level of theory. Increments corresponding to unsubstituted positions within the naphthalene skeleto
Long-range proton-proton coupling constants between the hydroxy proton and ring protons were employed to deduce the confomtional preferences of 1-and 2-hydroxynaphthalene. 2,6-Dibromo-1,5-dihydroxynaphthalene, 2-acetyl-l-hydroxynaphthalene, 1,6-dibromo-2-hydroxynaphthalene and 2-hydroxy-1-naphthalde
It is shown, by the MP2(fc)/6-31G\*\*//HF/6-31G\* + ZPE(HF/6-31G\*) theoretical model and subsequent use of homodesmic reactions, that the absolute proton affinities in disubstituted naphthalenes involving F and CN substituents satisfy the simple additivity rule, which was previously found to hold i