Rapid Gas-Phase Autoxidation of Nicotine in the Atmosphere
Rapid Gas-Phase Autoxidation of Nicotine in the Atmosphere
复制标题
大气中尼古丁的快速气相自氧化
DOI：
10.1021/acs.jpca.2c04551
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发表时间：
2022-09-07
影响因子：
2.9
通讯作者：
Wang，Liming
中科院分区：
文献类型：
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作者：
Yang，Beiran;Wang，Sainan;Wang，Liming
尼古丁是烟气中含量最丰富的生物碱类化合物。在这项工作中，我们研究了尼古丁的气相氧化机制，其反应引发的OH自由基和臭氧。这两种引发反应主要通过从甲基吡咯烷基的C1、C3和-CH 3基团中夺取氢原子开始，并分别形成烟基-1、烟基-3和烟基-6。烟酰基自由基会迅速与O2复合，形成RO 2，并进行快速的分子内氢原子转移（HAT），速率系数从4 s-1到大于104 s-1。过氧自由基中的快速HAT表明尼古丁在气相中快速自氧化。在以前的研究中观察到的HCNO和HC（O）NH 2的形成可能来自次级反应或中间产物的光解。
Nicotine is the most abundant alkaloid chemical in smoke emission. In this work, we investigated the gas-phase oxidation mechanism of nicotine initiated by its reactions with the OH radical and ozone. Both initiation reactions start dominantly by hydrogen atom abstractions from the C1, C3, and −CH3groups of the methylpyrrolidinyl group and form radicals nicotinyl-1, nicotinyl-3, and nicotinyl-6, respectively. The nicotinyl radicals would recombine rapidly with O2, forming RO2with rapid intramolecular hydrogen-atom transfers (HATs) with rate coefficients from 4 s–1to greater than 104s–1. The rapid HATs in peroxy radicals suggest rapid autoxidation of nicotine in the gas phase. Formation of HCNO and HC(O)NH2, being observed in previous studies, arises likely from secondary reactions or photolysis of intermediate products.