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

相關鏈接
聯系方式
  • 通信地址:山東省青島經濟技術開發區長江西路66 號
  • 郵編:266580
  • 電話:0532-86983415
  • 傳真:
  • Email:luxq@upc.edu.cn
當前位置:> 首頁 > 論文著作 > 正文
Gas-phase reactions of Co+ with ethylamine: A theoretical approach to the reaction mechanisms of transition metal ions with primary amines.
作者:X. Q. Lu, W. Y. Guo, T. F. Yang, L. M. Zhao, S. C. Du, L. Wang, H. H. Shan.
關鍵字:Gas-phase reactions,theoretical approach
論文來源:期刊
具體來源:J. Phys. Chem. A
發表時間:2008年
We report herein a comprehensive study of gas-phase reactions of Co(+) with ethylamine using density functional theory. Geometries and energies for all the stationary points involved in the reactions are investigated at the B3LYP/6-311++G(2df,2pd) level. Six different "classical" N and "nonclassical" ethyl-H attached isomers are found for the Co(+)-ethylamine complexes. The classical complexes are much more stable than the nonclassical ones, which have the complexation energies close to Co(+) complexes with small alkanes. Extensive conversions could occur readily between these encounter complexes. All conceivable reaction pathways from each encounter complex to the experimentally observed products are carefully surveyed, and the most likely reaction mechanisms are derived. Activation of the C(alpha)-H bond of ethylamine by Co(+) through both the classical and nonclassical complexes leads to not only the H2 loss but also the hydride abstraction. The loss of ethylene arises from Co(+) insertion into the polar C-N bond in the classical complexes as well as from C(beta)-H activation through the nonclassical methyl-H attached complex of Co(+)- gauche-ethylamine. CH4 only forms via C-C activation from the nonclassical complex with the metal bound to two Hs from the different carbons. Initial N-H insertion is unlikely to be important. It is the reactions of the nonclassical complexes that closely parallel with the Co(+) + alkane reactions. The theoretical work sheds new light on the title reactions and can serve as a theoretical approach to the reaction mechanisms of transition metal ions with primary amines.
主站蜘蛛池模板: 赣榆县| 临武县| 全椒县| 清原| 碌曲县| 上饶县| 连云港市| 辰溪县| 赤水市| 扎兰屯市| 额敏县| 永康市| 永顺县| 高安市| 晋州市| 北碚区| 五河县| 佛冈县| 淮滨县| 永顺县| 梅州市| 白朗县| 清新县| 嘉定区| 平谷区| 潍坊市| 来安县| 兴海县| 清新县| 太仆寺旗| 黄平县| 常德市| 富阳市| 噶尔县| 庐江县| 盐山县| 天峻县| 富宁县| 宜君县| 大兴区| 崇州市|