A Stabilized Bisphosphanylsilylene and Its Heavier Congeners.

Denis KarginZsolt KelemenKristijan KrekićLászló NyulásziRudolf Pietschnig

Published in: Chemistry (Weinheim an der Bergstrasse, Germany) (2018)

A bisphosphanylsilylene with [3]ferrocenophane backbone and its heavier analogues are described in the form of donor adducts. These heterocarbenes can be formed by dehydrochlorination (Si) or cycloreversion (Sn, Pb) using NHC (N-heterocyclic carbene) tetramethylimidazol-2-ylidene. The structures of the bisphosphanyl-silylene, -stannylene and -plumbylene NHC adducts are presented, and the bonding and stability of these compounds were elucidated using DFT calculations. Reactivity studies confirm the stability of the silylene adduct, where the electrophilic character of the silylene center is comparable to a borane.

Keyphrases

density functional theory
molecular docking
molecular dynamics
molecular dynamics simulations
heavy metals
high resolution
room temperature
case control
aqueous solution
mass spectrometry