1246224-46-3Relevant academic research and scientific papers
Systematic Experimental and Computational Studies of Substitution and Hybridization Effects in Solid-State Halogen Bonded Assemblies
Nguyen, Suong T.,Ellington, Thomas L.,Allen, Katelyn E.,Gorden, John D.,Rheingold, Arnold L.,Tschumper, Gregory S.,Hammer, Nathan I.,Watkins, Davita L.
, p. 3244 - 3254 (2018)
A quantitative assessment of the substituent, hybridization, and crystal-packing effects on the electronic, structural, and vibrational properties of halogen bonded systems is presented. Through a combined experimental and theoretical approach employing R
Synthesis of Chiral Triazole-Based Halogen Bond Donors
Kaasik, Mikk,Kaabel, Sandra,Kriis, Kadri,J?rving, Ivar,Kanger, T?nis
, p. 2128 - 2135 (2019/05/10)
The number of applications that use halogen bonding in the fields of self-assembly, supramolecular aggregation, and catalysis is growing. However, the accessibility of chiral halotriazoles shows that there is still a lot more to explore. The simple click-chemistry is applied for the straightforward synthesis of enantiomerically pure mono- and bidentate as well as multifunctional iodotriazole-based XB donors. The methodology is characterized by a wide variability due to easy access of chiral azides.
Synthesis and Characterisation of Chiral Triazole-Based Halogen-Bond Donors: Halogen Bonds in the Solid State and in Solution
Kaasik, Mikk,Kaabel, Sandra,Kriis, Kadri,J?rving, Ivar,Aav, Riina,Rissanen, Kari,Kanger, T?nis
supporting information, p. 7337 - 7344 (2017/05/31)
A general platform for the synthesis of various chiral halogen-bond (XB) donors based on the triazole core and the characterisation of factors that influence the strength of the halogen bond in the solid state and in solution are reported. The characterisation of XB donors in the solid state by X-ray crystallography and in solution by 1H NMR titration can be used to aid the design of new XB donors. We describe the first example of a XB between iodotriazoles and thioureas in solution. In addition, the enantiodiscrimination of acceptors in solution through halogen-bond participation is described.
