Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses Antonino Famulari, Massimo Cametti and Stefano Valdo Meille (Politecnico di Milano), and Javier Martí-Rujas (Center for Nano Science and Technology@Polimi, Istituto Italiano di Tecnologia) Control over the formation of non-centrosymmetric chiral materials is highly desirable due to their potential applications in areas such as ferroelectricity, piezo- and pyroelectricity, and second harmonic generation. The development of a reliable approach to induce the formation of a chiral material from achiral molecules remains a great challenge in the field of molecular chemistry. Furthermore, the understanding of the driving forces behind those aggregations is a prerequisite for the design and construction of chiral molecular arrays. C3-symmetrical tripodal molecules have emerged as attractive organic frameworks for the construction of chiral coordination compounds. In the present contribution we report about a family of isostructural, chiral supramolecular networks obtained in the solid state by exploiting second sphere coordination interactions in the self-assembly of 2 achiral tris amines with tetrahalometallate and halide ions. Quantum-Mechanical calculations (including the usage of approaches specific for crystalline solid phases) provided important insights into the intramolecular and packing interactions which determine chirality, pointing to a direct effect of the methyl groups of the central benzene ring of the tris amines.   (a) P. A. Maggard, C. L. Stern and K. R. Poeppelmeier, J. Am. Chem. Soc., 2001, 123, 7742–7743; (b) M. Liu, L. Zhang and T. Wang, Chem. Rev., 2015, DOI: 10.1021/ Q5 cr500671p.  P. S. Halasyamani and K. R. Poeppelmeyer, Chem. Mater., 1998, 10, 2753–2769.  Z. Dai and J. W. Canary, New J. Chem., 2007, 31, 1708–1718.  H. Yu, L. Li, J. Gao, J. Tong, W. Zheng, M. Cametti, A. Famulari, S.V. Meille, F. Guo and J. Martí-Rujas Journal Article Dalton Trans., 2016,44, 15960-15965. DOI: 10.1039/C5DT02387D.
|Titolo:||Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses|
|Autori interni:||FAMULARI, ANTONINO|
|Data di pubblicazione:||2016|
|Appare nelle tipologie:||04.1 Contributo in Atti di convegno|