Model study on the pyridine-dewar pyridine and some related photoisomerization reactions

Su MD

首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Model study on the pyridine-dewar pyridine and some related photoisomerization reactions

【24h】

Model study on the pyridine-dewar pyridine and some related photoisomerization reactions

机译：吡啶-杜瓦吡啶的模型研究及一些相关的光异构化反应

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 potential energy surfaces corresponding to the photochemical reactions of pyridine, phosphinine, and arsabenzene have been investigated by employing the CAS(6,6)/6-311G(d,p) and MP2-CAS-(6,6)/6-311++G(3df,3pd)//CAS(6,6)/6-311G(d,p) methods. The thermal (or dark) reactions of these reactant species have also been examined using the same level of theory. The mechanisms of drastic structural change in the excited- and ground-state reactions of pyridine, phosphinine, and arsabenzene and the differences between them are elucidated. The theoretical investigations suggest that conical intersections play a crucial role in their photoisomerization reactions. The results obtained allow a number of predictions to be made.

机译：通过使用CAS（6,6）/ 6-311G（d，p）和MP2-CAS-（6,6）/ 6-研究了与吡啶，次膦和砷苯的光化学反应相对应的势能面311 ++ G（3df，3pd）// CAS（6,6）/ 6-311G（d，p）方法。这些反应物物种的热（或暗）反应也已使用相同的理论水平进行了检查。阐明了吡啶，次膦，亚硝苯的激发态和基态反应中剧烈的结构变化机理，以及它们之间的差异。理论研究表明，圆锥形交叉点在其光异构化反应中起着至关重要的作用。获得的结果使得可以做出许多预测。

著录项

来源
《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2007年第5期|共5页
作者
Su MD;
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
CONICAL INTERSECTIONS; BASIS-SET; ENERGY; SINGLET; DIMETHYLPYRIDINES; PHOTOCHEMISTRY; PHOTOREACTIONS; ISOMERIZATION; CHEMISTRY; STATES;

机译：圆锥形相交;基集;能量;单价;二甲基吡啶;光化学;光反应;异构化;化学;状态;

相似文献

外文文献
中文文献
专利

1. Model study on the pyridine-dewar pyridine and some related photoisomerization reactions [J] . Su MD The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2007,第5期

机译：吡啶-杜瓦吡啶的模型研究及一些相关的光异构化反应
2. Synthesis of Novel C3-Linked beta-Carboline-Pyridine Derivatives Employing Khronke Reaction: DNA-binding Ability and Molecular Modeling Studies [J] . Shankaraiah Nagula, Sharma Pankaj, Pedapati Srinivas, Letters in drug design & discovery . 2016,第4期

机译：Khronke反应的新型C3连接的β-咔啉-吡啶衍生物的合成：DNA结合能力和分子建模研究
3. Theoretical study of formation of pyridines by interaction of a cobaltacyclopentadiene with model nitriles (hydrogen cyanide or trifluoroacetonitrile): Electronic effects of nitriles on the reaction mechanism [J] . Dahy A.A., Koga N. Journal of Organometallic Chemistry . 2010,第19a20期

机译：钴环戊二烯与模型腈（氰化氢或三氟乙腈）相互作用形成吡啶的理论研究：腈对反应机理的电子影响
4. A Computational Study of the Reaction N(~2D) + C_6H_6 Leading to Pyridine and Phenylnitrene [C] . Nadia Balucani, Leonardo Pacifici, Dimitrios Skouteris, International conference on computational science and its applications . 2019

机译：N（〜2D）+ C_6H_6生成吡啶和亚苯基硝基苯反应的计算研究
5. Spectroscopic studies on carborane derivatives: Synthesis and characterization of partial cage degradation reactions of 1,2-(hydroxymethyl radical)-closo-carborane with 2-(aminomethyl)-pyridine. [D] . Gilbes, Blanca Janet. 2006

机译：碳硼烷衍生物的光谱研究：1,2-（羟甲基自由基）-氯甲烷与2-（氨基甲基）-吡啶的部分笼降解反应的合成和表征。
6. Paramagnetic 19F NMR and Electrospray Ionization Mass Spectrometric Studies of Substituted Pyridine Complexes of Chromium(III): Models for Potential Use of 19F NMR to Probe Cr(III)-Nucleotide Interaction [O] . Nicholas R. Rhodes, Ken Belmore, Carolyn J. Cassady, -1

机译：铬（III）取代吡啶复合物的顺磁19F NMR和电喷雾电离质谱研究：潜在使用19F NMR至探针Cr（III） - 核苷酸相互作用
7. Reactions of H+(pyridine)m(H2O)n and H+(NH3)1(pyridine)m(H2O)n with NH3: experiments and kinetic modelling [O] . Ryding M. J., Å. M. Jonsson, Zatula A. S., 2012

机译：H +（吡啶）m（H2O）n和H +（NH3）1（吡啶）m（H2O）n与NH3的反应：实验和动力学模型

Model study on the pyridine-dewar pyridine and some related photoisomerization reactions

摘要

著录项

相似文献

相关主题

期刊订阅