engleski

Acidity of phenylcyclobutene: experimental and gas phase results

Results on determination of intrinsic acidity of phenylcyclobutene will be presented. Gas phase acidity was determined using bracketing technique in FT-MS ICR spectrometer. In addition, proton affinities calculated with high level ab initio MP2/6-31+G(d) and DFT B3LYP/6-31+G(d) will be compared with experimental results. To evaluate influence of phenyl moiety on cyclobutenyl anions (position a and b) and parent cyclobutenyl anion were investigated. Difference in acidities of phenylcyclobutene and cyclobutene itself will be discussed in terms of geometric and electronic structure changes upon substitution by phenyl group.

gas phase acidity; phenylcyclobutene; ab initio calculations

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