Hyperconjugation versus back bonding in AH_(3_n)Xn species (A = Si and Ge; X = F,Cl and Br; and n = 1, 2 and 3)

摘要

In this research two competing phenomena, back bonding and hyperconjugation, have been investigatedbased on Natural Bond Orbital (NBO) and Atoms in Molecules (AIM) analyses for radical AH_(3-n)X_n species,where A = Si and Ge, and n = 1, 2 and 3. It is demonstrated in this article that both above phenomena willbe occurred significantly, while back bonding is the only event in analogous compounds with carbon andhyperconjugation is rather negligible. It was also found that only one back bonding with the help of key-word