Title of article :
Novel formation of silicon–germanium bond: Insertion reactions of H2SiLiF with GeH3X (X = F, Cl, Br)
Author/Authors :
Wen-Zuo Li، نويسنده , , Bing-Fei Yan، نويسنده , , Cui-Ping Xiao، نويسنده , , Qing-Zhong Li، نويسنده , , Jianbo Cheng، نويسنده ,
Issue Information :
دوفصلنامه با شماره پیاپی سال 2014
Pages :
5
From page :
112
To page :
116
Abstract :
A combined density functional and ab initio quantum chemical study of the insertion reactions of the silylenoid H2SiLiF with GeH3X (X = F, Cl, Br) were carried out. The geometries of all the stationary points for the reactions were optimized using the DFT B3LYP method and then the QCISD method was used to calculate the single-point energies. The results indicated that, there were one precursor complex (Q), one transition state (TS), and one intermediate (IM) which connected the reactants and the products along the potential energy surface. The elucidations of the mechanism of these insertion reactions provided a new reaction mode of silicon–germanium bond formation.
Keywords :
H2SiLiF , CL , Br) , B3LYP , insertion reaction , QCISD , GeH3X (X = F
Journal title :
Journal of Organometallic Chemistry
Serial Year :
2014
Journal title :
Journal of Organometallic Chemistry
Record number :
1369633
Link To Document :
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