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首页> 外文期刊>International journal of mass spectrometry >A selected ion flow tube study of the reactions of H3O+, NO+ and O-2(center dot+) with some oxygenated biogenic volatile organic compounds
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A selected ion flow tube study of the reactions of H3O+, NO+ and O-2(center dot+) with some oxygenated biogenic volatile organic compounds

机译:选择离子流管研究H3O +,NO +和O-2(中心点+)与某些氧化的生物挥发性有机化合物的反应

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摘要

The rate constants and product ion distributions of the reactions of H3O+, NO+ and O-2(center dot+) with 2-methyl-3-buten-2-ol, cis-3-hexen-1-ol, cis-3-hexenyl acetate, 1,8-cineole, 6-methyl-5-hepten-2-one, camphor and linalool have been determined at 150Pa and 297K using a selected ion flow tube (SIFT). All reactions were found to proceed at a rate close to the collision rate, calculated with the Su and Chesnavich model, using the polarizability and electric dipole moment of the compounds derived from B3LYP/aug-cc-pVDZ quantum chemical calculations. Additionally the product ion distributions of the reactions of these three ions with the terpenoid alcohols nerol and geraniol have been obtained. (c) 2005 Elsevier B.V. All rights reserved.
机译:H3O +,NO +和O-2(中心点+)与2-甲基-3-丁烯-2-醇,顺式3-己烯-1-醇,顺式3-己烯基反应的速率常数和产物离子分布已使用选定的离子流管(SIFT)在150Pa和297K下测定了乙酸酯,1,8-桉树脑,6-甲基-5-庚-2-酮,樟脑和芳樟醇。使用Su和Chesnavich模型计算得出的所有反应均以接近碰撞速率的速率进行,使用从B3LYP / aug-cc-pVDZ量子化学计算得出的化合物的极化率和电偶极矩。另外,已经获得了这三个离子与萜类醇神经醇和香叶醇的反应的产物离子分布。 (c)2005 Elsevier B.V.保留所有权利。

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