ACOMS+ 및 학술지 리포지터리 설명회

  • 한국과학기술정보연구원(KISTI) 서울분원 대회의실(별관 3층)
  • 2024년 07월 03일(수) 13:30
 

  • P-ISSN2233-4203
  • E-ISSN2093-8950
  • ESCI, SCOPUS, KCI

논문 상세

Home > 논문 상세
  • P-ISSN 2233-4203
  • E-ISSN 2093-8950

Elucidating H/D-Exchange Mechanism of Active Hydrogen in Aniline and Benzene-1,2-dithiol

Elucidating H/D-Exchange Mechanism of Active Hydrogen in Aniline and Benzene-1,2-dithiol

Mass Spectrometry Letters / Mass Spectrometry Letters, (P)2233-4203; (E)2093-8950
2021, v.12 no.4, pp.146-151
https://doi.org/10.5478/MSL.2021.12.4.146
Arif Ahmed (Research Department, Curia, Albany)
Syful Islam (Department of Environment)
Sunghwan Kim (Kyungpook National University)
  • 다운로드 수
  • 조회수

Abstract

In this study, the hydrogen/deuterium (HDX) exchange mechanism of active hydrogen, nitrogen, and sulfur-contain-ing polycyclic aromatic hydrocarbon (PAH) dissolved in toluene and deuterated methanol by atmospheric pressure photoionization (APPI) is investigated. The comparison of the data obtained using APPI suggests that aniline and benzene-1,2-dithiol contain two exchanging hydrogens. The APPI HDX that best explains the experimental findings was investigated with the use of quantum mechanical calculations. The HDX mechanism is composed of a two-step reaction: in the first step, analyte radical ion gets deu-terated, and in the second step, the hydrogen transfer occurs from deuterated analyte to de-deuterated methanol to complete the exchange reaction. The suggested mechanism provides fundamentals for the HDX technique that is important for structural identification with mass spectrometry. This paper is dedicated to Professor Seung Koo Shin for his outstanding contributions in chemistry and mass spectrometry.

keywords
atmospheric pressure photoionization (APPI), hydrogen/deuterium exchange (HDX), potential energy surface, quantum mechanical calculation.


투고일Submission Date
2021-11-13
수정일Revised Date
2021-12-13
게재확정일Accepted Date
2021-12-13
  • 다운로드 수
  • 조회수
  • 0KCI 피인용수
  • 0WOS 피인용수

추천 논문

상단으로 이동

Mass Spectrometry Letters