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Tetrel bonds between PySiX3 and some nitrogenated bases: Hybridization, substitution, and cooperativity
Mingxiu Liu1, Qingzhong Li1, Wenzuo Li1
1The Laboratory of Theoretical and Computational Chemistry, School of Chemistry and Chemical Engineering, Yantai University, Yantai 264005, People's Republic of China.
Abstract:
Ab initio calculations have been performed to study the influence of hybridization, substitution, and cooperativity on the tetrel bond in the complexes of PySiX3 (Py=pyridine and X=halogen). The tetrel bond becomes stronger in the order of p-PySiF3⋯NCH(sp)
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