演題概要

3P-03

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イオンモビリティー質量分析を用いたプロトン付加分子内におけるプロトン移動の長距離化の研究

(東北大院理)
^o大下慶次郎・ 布施大輝・ 角田健吾・ 高崎佑也・ 美齊津文典

We have obtained direct experimental evidence that the proton transfers between the two protonation sites in protonated 6-amino-2-naphthoic acid (ANA∙H⁺) by a single ammonia molecule as a vehicle. The gaseous ANA∙H⁺ ions were reacted with NH₃ under a single-collision condition in a quadrupole ion trap, and the proton-transferred ions were identified by cryogenic ion mobility-mass spectrometry. The ab initio molecular dynamics simulations supported the present experimental finding that the intramolecular proton transfer occurs by the vehicle mechanism.