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Updated: Jun 25, 2026

Fabrication and Optimization of Type II Silicon Clathrate Films

Fabrication and Optimization of Type II Silicon Clathrate Films

Published on: October 14, 2025

Divalent silicon(0) compounds.

Nozomi Takagi¹, Takayasu Shimizu, Gernot Frenking

¹Fachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Strasse, 35032 Marburg, Germany.

Chemistry (Weinheim an Der Bergstrasse, Germany)

|February 21, 2009

Summary

This summary is machine-generated.

Divalent silicon(0) compounds, termed silylones, feature two donor-acceptor bonds and lone pairs. These compounds exhibit high proton affinities and bond dissociation energies, with protonation occurring at the pi lone pair.

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Area of Science:

Organosilicon Chemistry
Quantum Chemistry
Theoretical Inorganic Chemistry

Background:

Dicoordinated silicon compounds (SiL2) have been subjects of theoretical and experimental interest.
Understanding the electronic structure and bonding in low-coordinate silicon species is crucial for advancing silicon chemistry.

Purpose of the Study:

To investigate the geometries and electronic structures of dicoordinated silicon compounds (SiL2) using quantum-chemical calculations.
To propose a new classification and nomenclature (silylones) for specific divalent silicon compounds.
To explore the bonding, reactivity, and potential applications of these silicon species.

Main Methods:

Ab initio quantum-chemical calculations were employed to determine the optimized geometries and electronic structures.
Analysis of molecular orbitals (MOs) and bonding interactions (donor-acceptor bonds) was performed.
Theoretical prediction of properties such as proton affinities and bond dissociation energies.

Main Results:

Dicoordinated silicon compounds (SiL2) with cyclic ligands (L) are confirmed as divalent silicon(0) species with two L-->Si donor-acceptor bonds.
The term 'silylones' is proposed for compounds like 'trisilaallene', analogous to silylenes.
Calculations predict high proton affinities and bond dissociation energies, with initial protonation occurring at the pi lone pair orbital.

Conclusions:

The proposed bonding model for silylones provides a consistent explanation for their predicted properties.
Protonated silylones are predicted to adopt a pyramidal geometry around the silicon center.
Silylones show potential as novel ligands in transition-metal chemistry.