私密直播全婐app免费大渔直播,国产av成人无码免费视频,男女同房做爰全过程高潮,国产精品自产拍在线观看

相關(guān)鏈接
聯(lián)系方式
  • 通信地址:山東省青島經(jīng)濟技術(shù)開發(fā)區(qū)長江西路66 號
  • 郵編:266580
  • 電話:0532-86983415
  • 傳真:
  • Email:luxq@upc.edu.cn
當(dāng)前位置:> 首頁 > 論文著作 > 正文
Theoretical investigation of the reaction of Mn+ with ethylene oxide.
作者:Y. Y. Li, W. Y. Guo, L. M. Zhao, Z. C. Liu, X. Q. Lu, H. H. Shan
關(guān)鍵字:Mn+,ethylene oxide
論文來源:期刊
具體來源:J. Phys. Chem. A
發(fā)表時間:2011年

The potential energy surfaces of Mn+ reaction with ethylene oxide in both

the septet and quintet states are investigated at the B3LYP/DZVP level of theory. The

reaction paths leading to the products of MnO+, MnO, MnCH2+, MnCH3, and MnH+are described in detail. Two types of encounter complexes of Mn+ with ethylene oxideare formed because of attachments of the metal at different sites of ethylene oxide, i.e.,the O atom and the CC bond. Mn+ would insert into a CO bond or the CC bond ofethylene oxide to form two different intermediates prior to forming various products.MnO+/MnO and MnH+ are formed in the CO activation mechanism, while bothCO and CC activations account for the MnCH2+/MnCH3 formation. Products MnO+, MnCH2+, and MnH+ could be formed adiabatically on the quintet surface, while formation of MnO and MnCH3 is endothermic on the PESs with both spins. In agreementwith the experimental observations, the excited state a5D is calculated to be more reactive than the ground state a7S. This theoreticalwork sheds new light on the experimental observations and provides fundamental understanding of the reaction mechanism of ethylene oxide with transition metal cations.

主站蜘蛛池模板: 镇巴县| 同仁县| 永泰县| 驻马店市| 新绛县| 丰镇市| 开封县| 西昌市| 永寿县| 治多县| 广西| 石景山区| 玉屏| 麻栗坡县| 天水市| 九龙城区| 饶阳县| 错那县| 夏邑县| 龙井市| 富川| 丰顺县| 河东区| 长汀县| 玉树县| 原平市| 华安县| 商洛市| 光山县| 江永县| 长白| 阳谷县| 都江堰市| 苏尼特右旗| 融水| 甘南县| 荆门市| 重庆市| 英超| 南城县| 宁津县|