## The isobutane chemical ionization (CI) mass spectra of cis-and trans-1-butyl-3-and -4-dimethylaminocyclohexanols and of their methyl ethers exhibit abundant [MH -H 2 O] Y and [MH -MeOH] Y ions respectively. On the other hand, only the MH Y ions of the cis-isomers exhibit significant [MH -H 2 O]
✦ LIBER ✦
FT-ICR studies of gas-phase ionic nitration of benzene: the role of electron- and proton-transfer processes
✍ Scribed by M. Attinà; F. Cacace; M. Speranza
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 663 KB
- Volume
- 117
- Category
- Article
- ISSN
- 0168-1176
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## Abstract Density functional theory (DFT) and Monte Carlo (MC) simulation with free energy perturbation (FEP) techniques have been used to study the tautomeric proton transfer reaction of 2‐amino‐2‐oxazoline, 2‐amino‐2‐thiazoline, and 2‐amino‐2‐imidazoline in the gas phase and in water. Two react