Exploiting polymorphism in second sphere coordination: thermal transformation, NLO properties and selective mechanochemical synthesis. Issue 14 (18th March 2016)

• Record Type: Journal Article
• Authors: Yu, Hai-Bin; Li, Hai-Tao; Zhang, Peng; Famulari, Antonino; Guo, Fang; Bargigia, Ilaria; Martí-Rujas, Javier
• Is Part Of: CrystEngComm. Volume 18:Issue 14(2016)
• Page Start: 2408
• Page End: 2412
• Publication Date: 2016-03-18
• Subjects: Crystals -- Periodicals; Crystal growth -- Periodicals; Crystallography -- Periodicals; Cristaux -- Périodiques; Cristaux -- Croissance -- Périodiques; Cristallographie -- Périodiques; 548
• DOI: 10.1039/c6ce00366d
• Languages: English
• ISSNs: 1466-8033

Abstract

Abstract : Polymorphism has been explored in a second sphere adduct using a racemic ligand that also shows racemic polymorphic behavior. The polar nature of the second sphere adduct allowed us to study NLO phenomena. 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 Pna 21 and displays NLO properties. Mechanochemical synthesis yields only the β-phase.