Angle-strained sila-cycloalkynes.

Herbert WakefieldSophia J MelvinJennifer JiangIlia KevlishviliMaxime A SieglerStephen L Craig Heather J Kulik Rebekka S Klausen

Published in: Chemical communications (Cambridge, England) (2024)

Second row elements in small- and medium-rings modulate strain. Herein we report the synthesis of two novel oligosilyl-containing cycloalkynes that exhibit angle-strain, as observed by X-ray crystallography. However, the angle-strained sila-cyclooctynes are sluggish participants in cycloadditions with benzyl azide. A distortion-interaction model analysis based on density functional theory calculations was performed.

Keyphrases

density functional theory
high resolution
molecular dynamics
computed tomography
monte carlo
contrast enhanced