Selective Stabilization of Transition State Structures for Cope Rearrangements of Semibullvalene and Barbaralane through Interactions with Halogens

Selina C. Wang; Dean J. Tantillo

首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Selective Stabilization of Transition State Structures for Cope Rearrangements of Semibullvalene and Barbaralane through Interactions with Halogens

【24h】

Selective Stabilization of Transition State Structures for Cope Rearrangements of Semibullvalene and Barbaralane through Interactions with Halogens

机译：过渡态结构的选择性稳定，用于通过与卤素的相互作用来应对半牛和戊烷的重排

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

A new means-discovered through quantum chemical studies (B3LYP/6-31G(d))-of selectively stabilizing the delocalized forms of unsubstituted semibullvalene and barbaralane is described. Calculations indicate that complexation of delocalized semibullvalene and barbaralane Cope rearrangement transition structures by halogen-containing molecules (homo- and heteronuclear diatomics and Lewis acids) can reduce the barrier significantly, in many cases causing it to disappear entirely.

机译：描述了一种通过量子化学研究（B3LYP / 6-31G（d））发现的新方法，该方法选择性地稳定了未取代的半布尔瓦伦烯和barbaralane的离域形式。计算表明，含卤素分子（同核和异核双原子和路易斯酸）使散布的半布尔瓦伦烯和barbaralane Cope重排过渡结构络合，可以显着减少该屏障，在许多情况下会使其完全消失。

著录项

来源
《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2007年第30期|共5页
作者
Selina C. Wang; Dean J. Tantillo;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类
关键词

相似文献

外文文献
中文文献
专利

1. Selective Stabilization of Transition State Structures for Cope Rearrangements of Semibullvalene and Barbaralane through Interactions with Halogens [J] . Selina C. Wang, Dean J. Tantillo The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2007,第30期

机译：过渡态结构的选择性稳定，用于通过与卤素的相互作用来应对半牛和戊烷的重排
2. Theoretical study on the Cope rearrangement mechanisms and the homoaromaticity of semibullvalene, barbaralane, and 1,5-methanosemibullvalene [J] . Ichikawa Y., Sakai S. Journal of Physical Organic Chemistry . 2012,第5期

机译：半牛戊烯，barbaralane和1,5-甲亚甲基半牛戊烯的Cope重排机理和均芳性的理论研究
3. The Effects of Substituents on the Degenerate Cope Rearrangement of Semibullvalenes and Barbaralanes [J] . Lloyd M. Jackman, Errol Fernandes, Markus Heubes, European journal of organic chemistry . 1998,第10期

机译：取代基对半牛和烯的简并应付重排的影响
4. Medium-ranged interactions of transition-metal (3d and 4d) impurity pairs in Al and atomic structures of Al-rich Al-transition-metal alloys [C] . T. Hoshino, N. Fujima, M. Asato, International Symposium on Metastable and Nano-Materials(ISMANAM-2005); 20050703-07; Paris(FR) . 2005

机译：Al中过渡金属（3d和4d）杂质对和富Al的Al过渡金属合金的原子结构的中程相互作用
5. Selective stabilization and structure of the ketonization transition state of ketosteroid isomerase investigated by mutagenesis, kinetics and kinetic isotope effects [D] . Wilde, Thomas Craig 2005

机译：通过诱变，动力学和动力学同位素效应研究了酮类固醇异构酶的酮化过渡态的选择性稳定化和结构
6. Transition State Charge Stabilization Through Multiple Non-Covalent Interactions in the Guanidinium-Catalyzed Enantioselective Claisen Rearrangement [O] . Christopher Uyeda, Eric N. Jacobsen -1

机译：过渡态电荷稳定性通过多种非共价相互作用的胍盐催化的不对称克莱森重排
7. Selective Stabilization of Transition State Structures for Cope Rearrangements of Semibullvalene and Barbaralane through Interactions with Halogens [O] . -1

机译：通过与卤素相互作用的半戊烯和律巴拉烷的应对状态结构的选择性稳定化
8. AM1 Study of the Cope Rearrangements of Bullvalene, Barbaralane, Semibullvalene, and Derivatives of Semibullvalene [R] . Dewar, M. J., Jie, C. 1988

机译：am1研究Bullvalene，Barbaralane，semibullvalene和semibullvalene衍生物的Cope重排

Selective Stabilization of Transition State Structures for Cope Rearrangements of Semibullvalene and Barbaralane through Interactions with Halogens

摘要

著录项

相似文献

相关主题

期刊订阅