The Isomeric Structures of H2GeLiF, the Prototype Germylenoid

被引:0
|
作者
Hua Yu QIU
Wan Yong MA
Guan Bin LI
Cong Hao DENG (Department of Chemical Engineering. Shandong Institute of Light Industry. Jinan 250100
Institute of Theoretical Chemistry. Shandong University
机构
关键词
Germylenoid; p-complex; ab initio;
D O I
暂无
中图分类号
O614 [金属元素及其化合物];
学科分类号
070301 ; 081704 ;
摘要
The structures of four isomeric forms of the model germylenoid, H2GeLiF. have been examined by ah initio MO theory. The most stable structure is suggested to be the p-complex 1.The other three species. three-membered ring 2, δ-complex 3 and tetrahedron 4. are also local minima on the potential energy surface. but are higher in energy.
引用
收藏
页码:511 / 514
页数:4
相关论文
共 50 条
  • [21] Theoretical prediction on H2 elimination reactions of H2GeLiF with RH (R = Cl, SH, and PH2)
    Tong-Tong Wang
    Wen-Zuo Li
    Qing-Zhong Li
    Jian-Bo Cheng
    Russian Journal of Physical Chemistry A, 2015, 89 : 812 - 817
  • [22] Theoretical prediction on H2 elimination reactions of H2GeLiF with RH (R = Cl, SH, and PH2)
    Wang, Tong-Tong
    Li, Wen-Zuo
    Li, Qing-Zhong
    Cheng, Jian-Bo
    RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A, 2015, 89 (05) : 812 - 817
  • [23] Theoretical studies on the geometries of H2GeLiF and its insertion reaction with R-H (R = F, OH, NH2)
    Tan, XJ
    Li, P
    Wang, DS
    Yang, XL
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2006, 761 (1-3): : 27 - 30
  • [24] Structures and Isomerization Reactions of the Germylenoid H2GeClMgCl in Solution
    Li Wen-Zuo
    Cheng Jian-Bo
    Li Qing-Zhong
    Gong Bao-An
    Sun Jia-Zhong
    ACTA PHYSICO-CHIMICA SINICA, 2009, 25 (01) : 121 - 125
  • [25] Theoretical Prediction on the Germylenoid HB=GeLiF and Its Insertion Reaction with R-H (R = F, OH, NH2)
    Li Wen-Zuo
    Yang Feng-Xia
    Cheng Jian-Bo
    Li Qing-Zhong
    Gong Bao-An
    CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2012, 31 (01) : 19 - 26
  • [26] Theoretical Prediction on the Germylenoid HB=GeLiF and Its Insertion Reaction with R-H(R = F,OH,NH2)
    李文佐
    杨凤霞
    程建波
    李庆忠
    宫宝安
    结构化学, 2012, 31 (01) : 19 - 26
  • [27] Structures of the germylenoid H2GeZnCl2 and its addition reactions with ethylene
    Ming-Xia Zhang
    Bing-Fei Yan
    Wen-Zuo Li
    Qing-Zhong Li
    Jian-Bo Cheng
    Structural Chemistry, 2016, 27 : 1819 - 1829
  • [28] ISOMERIC STRUCTURES OF CH2LIF, THE PROTOTYPE CARBENOID
    VINCENT, MA
    SCHAEFER, HF
    JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (12): : 6103 - 6108
  • [29] Structures of the germylenoid H2GeZnCl2 and its addition reactions with ethylene
    Zhang, Ming-Xia
    Yan, Bing-Fei
    Li, Wen-Zuo
    Li, Qing-Zhong
    Cheng, Jian-Bo
    STRUCTURAL CHEMISTRY, 2016, 27 (06) : 1819 - 1829
  • [30] Theoretical studies on the alkylidene germylenoid H2C=GeLiF and its insertion reaction with R-H (R = F, OH, NH2, CH3)
    Tan, Xiaojun
    Wang, Weihua
    Li, Ping
    Liu, Fei
    RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A, 2009, 83 (08) : 1355 - 1362