The racemic organic building block L acting as a first sphere ligand yields a new second sphere adduct [LH]+·[FeCl4]- crystallizing as racemic polymorphs α and β. Solid-state DFT calculations show that polymorph β is the kinetic adduct as observed experimentally. The β-phase crystallizes in the polar space group Pna21 and displays NLO properties. Mechanochemical synthesis yields only the β-phase.
Exploiting polymorphism in second sphere coordination: thermal transformation, NLO properties and selective mechanochemical synthesis
FAMULARI, ANTONINO;Bargigia, Ilaria;Martí Rujas, Javier
2016-01-01
Abstract
The racemic organic building block L acting as a first sphere ligand yields a new second sphere adduct [LH]+·[FeCl4]- crystallizing as racemic polymorphs α and β. Solid-state DFT calculations show that polymorph β is the kinetic adduct as observed experimentally. The β-phase crystallizes in the polar space group Pna21 and displays NLO properties. Mechanochemical synthesis yields only the β-phase.File in questo prodotto:
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