Exploiting polymorphism in second sphere coordination: thermal transformation, NLO properties and selective mechanochemical synthesis†

摘要: The racemic organic building block L acting as a first sphere ligand yields new second adduct [LH]+·[FeCl4]− crystallizing polymorphs α and β. Solid-state DFT calculations show that polymorph β is the kinetic observed experimentally. β-phase crystallizes in polar space group Pna21 displays NLO properties. Mechanochemical synthesis only β-phase.