Strong Tetrel Bonds: Theoretical Aspects and Experimental Evidence.

ABSTRACT: In recent years, noncovalent interactions involving group-14 elements of the periodic table acting as a Lewis acid center (or tetrel-bonding interactions) have attracted considerable attention due to their potential applications in supramolecular chemistry, material science and so on. The aim of the present study is to characterize the geometry, strength and bonding properties of strong tetrel-bond interactions in some charge-assisted tetrel-bonded complexes. Ab initio calculations are performed, and the results are supported by the quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) approaches. The interaction energies of the anionic tetrel-bonded complexes formed between XF₃M molecule (X=F, CN; M=Si, Ge and Sn) and A- anions (A-=F-, Cl-, Br-, CN-, NC- and N₃-) var

SUBMITTER: Esrafili MD 

PROVIDER: S-EPMC6222713 | biostudies-literature | 2018 Oct

REPOSITORIES: biostudies-literature