演題概要

ポスター発表

第3日　5月13日（水）　　P会場（1008/09）

3P-32　　PDF

アンモニア1分子で誘起される長距離プロトン移動反応：イオン移動度質量分析を用いたプロトン付加ベンゾカイン分子とNH₃の反応観測

(東北大院理)
宮﨑舜・ 服部圭吾・ ^o大下慶次郎・ 美齊津文典

Using ion mobility mass spectrometry, we obtained an experimental evidence that intramolecular proton transfer between two structural isomers with different protonation sites of protonated benzocaine (BC) is induced by a single NH3 molecule. In combination with theoretical calculations of the reaction path search, it was concluded that intramolecular proton transfer to produce the O-protomer (protonated BC at the C=O group) proceeds in the N-protomer (protonated BC at the NH₂ group) by NH₃ coordination. In the calculated pathway, the NH₄⁺ ion formed by proton transfer from the NH₂ group of the N-protomer to NH₃ donates a proton to the C=O group after hopping on the benzene ring of BC.