Neutral chiral bidentate tellurium-triazoles for enantioselective non-covalent chalcogen-bonding catalysis
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Neutral chiral bidentate tellurium-triazoles for enantioselective non-covalent chalcogen-bonding catalysisLary Massold (1), James O'Brien (2), Kevin Fengler (1), Alica Keuper (1), Raquel Hidalgo (1), Cristina Trujillo (2), and Olga García Mancheño (1)(1) Organic Chemistry Institute, University of Münster, Corrensstraße 36, 48149 Münster, GermanyEmail: olga.garcia@uni-muenster.de(2) Department of Chemistry, University of Manchester, Oxford Road, Manchester, M139PL, U.K.Email: cristina.trujillodelvalle@manchester.ac.uk Here contains the supporting information for the "Neutral chiral bidentate tellurium-triazoles for enantioselective non-covalent chalcogen-bonding catalysis" paper. The supporting information contains the coordinates and data for each relevant geometry optimisation, transition state, and analytical technique conducted during this study. The supporting information contains the following: Table S1 - Coordinates and output files for each relevant geometry optimisation, transition state, and intrinsic reaction coordinate calculation for the uncatalysed reactionTable S2 - Coordinates and output files for each relevant geometry optimisation for the isolated conformers of catalyst 1aTable S3 - Coordinates and output files for each relevant geometry optimisation for the isolated conformers of catalyst 1bTable S4 - Coordinates and output files for each relevant geometry optimisation for the isolated conformers of catalyst 1cTable S5 - Coordinates and output files for each relevant geometry optimisation for the isolated conformers of catalyst 1dTable S6 - Coordinates for each relevant geometry optimisation for the dihedral angle scans of catalyst 1aTable S7 - Coordinates for each relevant geometry optimisation for the dihedral angle scans of catalyst 1bTable S8 - Coordinates for each relevant geometry optimisation for the dihedral angle scans of catalyst 1cTable S9 - Coordinates for each relevant geometry optimisation for the dihedral angle scans of catalyst 1dTable S9 - Coordinates and output files for each relevant geometry optimisation for the complexes 1a-Cl-anionTable S10 - Coordinates and output files for each relevant geometry optimisation for the complexes 1b-Cl-anionTable S11 - Coordinates and output files for each relevant geometry optimisation for the complexes 1c-Cl-anionTable S12 - Coordinates and output file for the geometry optimisation for complex 1d-Cl-anionTable S13 - Data from NBO, QTAIM, and NCI analyses for complex 1c-Cl-anion
