Supporting Information for
Fixation of carbon dioxide and related small molecules by a
bifunctional frustrated pyrazolylborane Lewis pair
Eileen Theuergarten, Janin Schlösser, Danny Schlüns, Matthias Freytag, Constantin
G. Daniliuc, Peter G. Jones and Matthias Tamm
*
* Institut für Anorganische und Analytische Chemie, Technische Universität
Carolo-Wilhelmina, Hagenring 30, D-38106 Braunschweig, Germany.
Fax: +49 (251) 391-5309; Tel: +49 (251) 391-5387; E-mail: m.tamm@tu-bs.de
Contents:
1. Computational Details
2. Energies of all optimized structures
3. Figure S1: Relative energies of stationary points on the 1 + CO
2
hypersurface.
4. Calculated structures and XYZ coordinates
Electronic Supplementary Material (ESI) for Dalton Transactions
This journal is © The Royal Society of Chemistry 2012