Ontology highlight
ABSTRACT:
SUBMITTER: Zierkiewicz W
PROVIDER: S-EPMC6359171 | biostudies-literature | 2019 Jan
REPOSITORIES: biostudies-literature
Molecules (Basel, Switzerland) 20190121 2
When an N-base approaches the tetrel atom of TF₄ (T = Si, Ge, Sn) the latter molecule deforms from a tetrahedral structure in the monomer to a trigonal bipyramid. The base can situate itself at either an axial or equatorial position, leading to two different equilibrium geometries. The interaction energies are considerably larger for the equatorial structures, up around 50 kcal/mol, which also have a shorter R(T··N) separation. On the other hand, the energy needed to deform the tetrahedral monom ...[more]