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Visible-light-Induced Reaction of an Ozone–Trimethylamine Complex Studied by Matrix-Isolation IR and Visible Absorption Spectroscopies
The Journal of Physical Chemistry A ( IF 2.9 ) Pub Date : 2020-11-23 , DOI: 10.1021/acs.jpca.0c08965
Kentaro Kamata 1 , Rengo Yoshioka 1 , Nobuyuki Akai 1 , Munetaka Nakata 1
Affiliation  

A visible-light-induced reaction of an O3–trimethylamine (TMA) complex isolated in low-temperature noble-gas matrices is investigated by infrared (IR) and visible absorption spectroscopies using the DFT calculation. The complex isolated in a Ne matrix yields trimethylamine-N-oxide (TMAO) upon irradiation (λ ≥ 800 nm) by dissociation of O3. When the wavelength of radiation is changed to λ = 455 nm, two stable conformers of dimethylaminomethanol (DMAM) are recognized besides TMAO. In an Ar matrix, DMAM and not TMAO is mainly produced upon λ = 455 nm irradiation. The photoreaction mechanism of the O3–TMA complex with a single collision reaction between O(3P) and TMA in the gas phase to produce OH and CH2N(CH3)2 radicals is discussed.

中文翻译:

臭氧-三甲胺配合物的可见光诱导反应的基质分离红外和可见吸收光谱研究

通过红外(IR)和可见光吸收光谱,使用DFT计算研究了在低温稀有气体基质中分离出的O 3-三甲胺(TMA)络合物的可见光诱导反应。在Ne基质中分离出的配合物通过O 3的解离,在照射(λ≥800 nm)时产生三甲胺-N-氧化物(TMAO)。当辐射的波长变为λ= 455 nm时,除TMAO外,还可以识别出两个稳定的二甲基氨基甲醇(DMAM)构象异构体。在Ar矩阵中,主要是在λ= 455 nm照射下产生DMAM而不是TMAO。O 3 -TMA配合物的光反应机理是在气相中O(3 P)与TMA之间发生单个碰撞反应,从而生成OH和CH讨论了2 N(CH 32基团。
更新日期:2020-12-03
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