Dissociation Energy of the HOOO Radical

Mychel E. Varner; Michael E. Harding; Juana Va′zquezJurgen GaussJohn F. Stanton

首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Dissociation Energy of the HOOO Radical

【24h】

Dissociation Energy of the HOOO Radical

机译：HOOO自由基的解离能

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

The dissociation of the hydrotrioxy (HOOO) radical to OH and O2 has been studied theoretically using coupledclustermethods. The calculated dissociation energy for the trans-HOOO isomer is 2.5 kcal mol-1 includingzero-point corrections. The minimum energy path to dissociation has been explored and an exit barrier hasbeen revealed, which may help to rationalize the apparent disagreement between theory and experiment onthe magnitude of the bond energy.

机译：使用偶联簇方法从理论上研究了氢三氧基（HOOO）自由基解离为 OH 和 O2。反式HOOO异构体的解离能为2.5 kcal mol-1，包括零点校正。已经探索了解离的最小能量路径，并揭示了出口障碍，这可能有助于合理化理论和实验之间关于键能大小的明显分歧。

著录项

来源
《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2009年第42期|11238-11241|共4页
作者
Mychel E. Varner; Michael E. Harding; Juana Va′zquezJurgen GaussJohn F. Stanton;
展开▼
作者单位

Institute for Theoretical Chemistry, Department of Chemistry and Biochemistry, The UniVersity of Texas at Austin, Texas 78712;

Institut fur Physikalische Chemie, UniVersitat Mainz, D-55099 Mainz, Germany;

展开▼
收录信息
原文格式 PDF
正文语种英语
中图分类物理化学（理论化学）、化学物理学;
关键词
Dissociation Energy; HOOO Radical; rationalize;

机译：解离能;HOOO激进;合理化;

相似文献

外文文献
中文文献
专利

1. Accurate studies on the full vibrational energy spectra and molecular dissociation energies for some electronic states of N2 molecule [J] . REN Weiyi, SUN Weiguo, HOU Shilin, 中国科学:物理学力学天文学（英文版） . 2005,第4期
2. Homopolar and Heteropolar Bond Dissociation Energies and Heats of Formation of Radicals and Ions in the Gas Phase II. The relationship between structure and bond dissociation in organic molecules [J] . Kurt W. Egger, Alan T. Cocks helvetica chimica acta . 1973,第5期

机译：Homopolar and Heteropolar Bond Dissociation Energies and Heats of Formation of Radicals and Ions in the Gas Phase II. The relationship between structure and bond dissociation in organic molecules
3. ChemInform Abstract: Homolytic Bond Dissociation Energies of the Benzylic C‐H Bonds in Radical Anions and Radical Cations Derived from Fluorenes, Triphenylmethanes, and Related Compounds [J] . X.‐M. ZHANG, F. G. BORDWELL Chem Inform . 1993,第13期

机译：ChemInform Abstract: Homolytic Bond Dissociation Energies of the Benzylic C‐H Bonds in Radical Anions and Radical Cations Derived from Fluorenes, Triphenylmethanes, and Related Compounds
4. Free Radicals by Mass Spectrometry. IX. Ionization Potentials of CF3and CCl3Radicals and Bond Dissociation Energies in Some Derivatives [J] . J. B. Farmer, I. H. S. Henderson, F. P. LossingD. G. H. Marsden journal of chemical physics . 1956,第2期

机译：Free Radicals by Mass Spectrometry. IX. Ionization Potentials of CF3and CCl3Radicals and Bond Dissociation Energies in Some Derivatives
5. 新☆エネルギーコンテストの開催報告（第10回新☆エネルギーコンテスト） [C] . 田中三郎, 佐々木直栄技術と社会の関連を巡って：過去から未来を訪ねる . 2018

机译：New☆Energy Contest（第10届New☆Energy Contest）的报告
6. The Political Logic of the Radical Right Media Sphere in the United States =美国右翼媒体的政治动员逻辑 [D] . Yang, Yunkang. 2020

机译：The Political Logic of the Radical Right Media Sphere in the United States =美国右翼媒体的政治动员逻辑
7. Test-retest reliability and construct validity of the ENERGY-parent questionnaire on parenting practices energy balance-related behaviours and their potential behavioural determinants: the ENERGY-project [O] . Amika S Singh, Mai JM Chinapaw, Léonie Uijtdewilligen, 2012

机译：ENERGY-父母问卷调查的重测信度和建构效度涉及父母的养育方式与能量平衡有关的行为及其潜在的行为决定因素：ENERGY-project
8. Strong Photon Energy Dependence of the Photocatalytic Dissociation Rate of Methanol on TiO2(110) [O] . Xu Chengbiao, Yang Wenshao, Ren Zefeng, 2013

机译：strong photon Energy Dependence of the photocatalytic Dissociation Rate of methanol on TiO2(110)
9. Yukawa-dissociation and the deuteron binding energy [R] . Jacobsen, T. 1997

机译：Yukawa-dissociation和氘核结合能

Dissociation Energy of the HOOO Radical

摘要

著录项

相似文献

相关主题

期刊订阅