Electric Literature of C6H4N2In 2022 ,《Strongly Bound π-Hole Tetrel Bonded Complexes between H2SiO and Substituted Pyridines. Influence of Substituents》 was published in ChemPhysChem. The article was written by Bhattarai, Sumitra; Sutradhar, Dipankar; Chandra, Asit K.. The article contains the following contents:
Ab initio calculation at the MP2/aug-cc-pVTZ level has been performed on the π-hole based N…Si tetrel bonded complexes between substituted pyridines and H2SiO. The primary aim of the study is to find out the effect of substitution on the strength and nature of this tetrel bond, and its similarity/difference with the N…C tetrel bond. Correlation between the strength of the N…Si bond and several mol. properties of the Lewis acid (H2SiO) and base (pyridines) are explored. The properties of the tetrel bond are analyzed using AIM, NBO, and symmetry-adapted perturbation theory calculations The complexes are characterized with short N…Si intermol. distances and high binding energies ranging between -142.72 and -115.37 kJ/mol. The high value of deformation energy indicates significant geometrical distortion of the monomer units. The AIM and NBO anal. reveal significant coordinate covalent bond character of the N…Si π-hole bond. Sharp differences are also noticed in the orbital interactions present in the N…Si and N…C tetrel bonds. In the experimental materials used by the author, we found 4-Cyanopyridine(cas: 100-48-1Electric Literature of C6H4N2)
4-Cyanopyridine(cas: 100-48-1) belongs to pyridine. Pyridine and pyridine-derived structures are privileged pharmacophores in medicinal chemistry and an essential functionality for organic chemists. As the prototypical π-deficient heterocycle, pyridine illustrates distinctive chemistry as both substrate and reagent. Electric Literature of C6H4N2