Calcium stilbene complexes: structures and dual reactivity.

Andrea CauseroHolger ElsenGerd BallmannAna EscalonaSjoerd Harder

Published in: Chemical communications (Cambridge, England) (2018)

Addition of a calcium hydride complex to diphenylacetylene gave a complex in which the stilbene dianion symmetrically bridges two Ca2+ ions. DFT calculations discuss the effect of the metal stilbene coordination. The stilbene complex reacts as a base (with H2) or an electron donor (with I2) and catalyzes the reduction of diphenylacetylene.

Keyphrases

density functional theory
quantum dots
molecular dynamics
molecular dynamics simulations
mass spectrometry
aqueous solution