CVD前驱体设计的量子化学描述符:预测TBP和TBAs异构体和衍生物的分解速率

Chemical Vapor Deposition Pub Date : 2015-09-23 DOI:10.1002/cvde.201504332

Andreas Stegmüller, Ralf Tonner

{"title":"CVD前驱体设计的量子化学描述符:预测TBP和TBAs异构体和衍生物的分解速率","authors":"Andreas Stegmüller, Ralf Tonner","doi":"10.1002/cvde.201504332","DOIUrl":null,"url":null,"abstract":"<p>Easily accessible information from quantum chemical computations can be used to predict decomposition barriers for phosphorous and arsenic precursor molecules for CVD. Based on the mechanistic description of the <i>β</i>-hydrogen elimination reaction, a precursor with a very low decomposition barrier is suggested.\n\n <figure>\n <div><picture>\n <source></source></picture><p></p>\n </div>\n </figure></p>","PeriodicalId":10093,"journal":{"name":"Chemical Vapor Deposition","volume":"21 7-8-9","pages":"161-165"},"PeriodicalIF":0.0000,"publicationDate":"2015-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/cvde.201504332","citationCount":"10","resultStr":"{\"title\":\"A Quantum Chemical Descriptor for CVD Precursor Design: Predicting Decomposition Rates of TBP and TBAs Isomers and Derivatives†\",\"authors\":\"Andreas Stegmüller, Ralf Tonner\",\"doi\":\"10.1002/cvde.201504332\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>Easily accessible information from quantum chemical computations can be used to predict decomposition barriers for phosphorous and arsenic precursor molecules for CVD. Based on the mechanistic description of the <i>β</i>-hydrogen elimination reaction, a precursor with a very low decomposition barrier is suggested.\\n\\n <figure>\\n <div><picture>\\n <source></source></picture><p></p>\\n </div>\\n </figure></p>\",\"PeriodicalId\":10093,\"journal\":{\"name\":\"Chemical Vapor Deposition\",\"volume\":\"21 7-8-9\",\"pages\":\"161-165\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2015-09-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1002/cvde.201504332\",\"citationCount\":\"10\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemical Vapor Deposition\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/cvde.201504332\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Vapor Deposition","FirstCategoryId":"1085","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/cvde.201504332","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}

引用次数: 10

摘要

从量子化学计算中容易获得的信息可以用来预测CVD中磷和砷前体分子的分解势垒。根据β-氢消除反应的机理描述，提出了一种分解势垒极低的前驱体。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

A Quantum Chemical Descriptor for CVD Precursor Design: Predicting Decomposition Rates of TBP and TBAs Isomers and Derivatives†

查看原文本刊更多论文

A Quantum Chemical Descriptor for CVD Precursor Design: Predicting Decomposition Rates of TBP and TBAs Isomers and Derivatives†

Easily accessible information from quantum chemical computations can be used to predict decomposition barriers for phosphorous and arsenic precursor molecules for CVD. Based on the mechanistic description of the β-hydrogen elimination reaction, a precursor with a very low decomposition barrier is suggested.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Chemical Vapor Deposition 工程技术-材料科学：膜

自引率

0.00%

发文量

审稿时长

>12 weeks

期刊介绍： Chemical Vapor Deposition (CVD) publishes Reviews, Short Communications, and Full Papers on all aspects of chemical vapor deposition and related technologies, along with other articles presenting opinion, news, conference information, and book reviews. All papers are peer-reviewed. The journal provides a unified forum for chemists, physicists, and engineers whose publications on chemical vapor deposition have in the past been spread over journals covering inorganic chemistry, materials chemistry, organometallics, applied physics and semiconductor technology, thin films, and ceramic processing.