{"title":"HO + HOH → HOH + OH反应的散射共振态与同位素效应的研究","authors":"岳红, 蔡政亭, 孙孝敏","doi":"10.1360/ZB2009-39-12-1647","DOIUrl":null,"url":null,"abstract":"在大气化学如燃烧反应和对流层各种有机化合物的降解中, HO + HOH →HOH + OH这一反应的研究格外受到关注. 我们用 ab initio 方法构建了该体系的偏分势能面, 并用其过渡区域里的动态 Eyring 湖解释散射共振态的形成机理, 同时给出了共振能数据, 估算了第一共振寿命. 另外, 我们还研究了同位素反应 H 18 O + HOH → H 18 OH + OH 和 DO + HOH → DOH + OH. 鉴于上述两个反应能够影响到等温层水中同位素的成分, HO + HOH →HOH + OH反应模型的建立对于理解O原子同位素的抽提反应有着重要的意义.","PeriodicalId":49128,"journal":{"name":"Science in China. Series B, Chemistry","volume":"28 1","pages":"1647-1651"},"PeriodicalIF":0.0000,"publicationDate":"2009-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"HO + HOH → HOH + OH反应的散射共振态与同位素效应的研究\",\"authors\":\"岳红, 蔡政亭, 孙孝敏\",\"doi\":\"10.1360/ZB2009-39-12-1647\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"在大气化学如燃烧反应和对流层各种有机化合物的降解中, HO + HOH →HOH + OH这一反应的研究格外受到关注. 我们用 ab initio 方法构建了该体系的偏分势能面, 并用其过渡区域里的动态 Eyring 湖解释散射共振态的形成机理, 同时给出了共振能数据, 估算了第一共振寿命. 另外, 我们还研究了同位素反应 H 18 O + HOH → H 18 OH + OH 和 DO + HOH → DOH + OH. 鉴于上述两个反应能够影响到等温层水中同位素的成分, HO + HOH →HOH + OH反应模型的建立对于理解O原子同位素的抽提反应有着重要的意义.\",\"PeriodicalId\":49128,\"journal\":{\"name\":\"Science in China. Series B, Chemistry\",\"volume\":\"28 1\",\"pages\":\"1647-1651\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2009-12-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Science in China. Series B, Chemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1360/ZB2009-39-12-1647\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Science in China. Series B, Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1360/ZB2009-39-12-1647","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
