Work

Conservation of the Total Order of the Axial SiSi and N → Si Bonds in Oligosilanylsilatranes

Year: 2025

Type: article

Abstract: atom using the Bürgi-Dunitz method of structural correlation (MSC). A classical hyperbola-like reaction coordinate is featured using the nonlinear least squares method. This representation perfectly corresponds to the ideal MSC pattern imposed by the conservation of the total order of the axial bonds in silatranes. At the analytical level, it describes the inverse relationship of the internuclear distances SiSi and N → Si of the axial fragment N → SiSi and provides an experimental (XRD) support for the presence of a covalent contribution in the dative contact N → Si in oligosilanylsilatranes. Theoretical bond orders determined by various methods are analyzed from the point of view of their ability to describe the inverse relation between the axial 3c4e bonds of the oligosilanylsilatrane unit and the conservation of their overall order. The nature of N → Si bond in oligosilanylsilatranes is considered within orbital and quantum-topological approaches.

Source: ChemPhysChem

DOI: 10.1002/cphc.202500230

Authors: Elena F. Belogolova, Evgeniya P. Doronina, Judith Baumgartner, Christoph Marschner, Viatcheslav V. Jouikov

Institutions: A.E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Graz University of Technology, Institut des Sciences Chimiques de Rennes, Université de Rennes

Language: English

Topic: Synthesis and characterization of novel inorganic/organometallic compounds

Subfield: Inorganic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $4,550

Funder: Siberian Branch, Russian Academy of Sciences