Title: Reversible Metal‐Free Carbon Dioxide Binding by Frustrated Lewis Pairs
Abstract: Angewandte Chemie International EditionVolume 48, Issue 36 p. 6643-6646 Communication Reversible Metal-Free Carbon Dioxide Binding by Frustrated Lewis Pairs† Cornelia M. Mömming, Cornelia M. Mömming Organisch-Chemisches Institut der Universität Münster, Corrensstrasse 40, 48149 Münster (Germany), Fax: (+49) 251-833-6503Search for more papers by this authorEdwin Otten Dr., Edwin Otten Dr. Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, ON M5S 3H6 (Canada) http://www.chem.utoronto.ca/staff/DSTEPHANSearch for more papers by this authorGerald Kehr Dr., Gerald Kehr Dr. Organisch-Chemisches Institut der Universität Münster, Corrensstrasse 40, 48149 Münster (Germany), Fax: (+49) 251-833-6503Search for more papers by this authorRoland Fröhlich Dr., Roland Fröhlich Dr. Organisch-Chemisches Institut der Universität Münster, Corrensstrasse 40, 48149 Münster (Germany), Fax: (+49) 251-833-6503Search for more papers by this authorStefan Grimme Prof. Dr., Stefan Grimme Prof. Dr. [email protected] Organisch-Chemisches Institut der Universität Münster, Corrensstrasse 40, 48149 Münster (Germany), Fax: (+49) 251-833-6503Search for more papers by this authorDouglas W. Stephan Prof. Dr., Douglas W. Stephan Prof. Dr. [email protected] Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, ON M5S 3H6 (Canada) http://www.chem.utoronto.ca/staff/DSTEPHANSearch for more papers by this authorGerhard Erker Prof. Dr., Gerhard Erker Prof. Dr. [email protected] Organisch-Chemisches Institut der Universität Münster, Corrensstrasse 40, 48149 Münster (Germany), Fax: (+49) 251-833-6503Search for more papers by this author Cornelia M. Mömming, Cornelia M. Mömming Organisch-Chemisches Institut der Universität Münster, Corrensstrasse 40, 48149 Münster (Germany), Fax: (+49) 251-833-6503Search for more papers by this authorEdwin Otten Dr., Edwin Otten Dr. Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, ON M5S 3H6 (Canada) http://www.chem.utoronto.ca/staff/DSTEPHANSearch for more papers by this authorGerald Kehr Dr., Gerald Kehr Dr. Organisch-Chemisches Institut der Universität Münster, Corrensstrasse 40, 48149 Münster (Germany), Fax: (+49) 251-833-6503Search for more papers by this authorRoland Fröhlich Dr., Roland Fröhlich Dr. Organisch-Chemisches Institut der Universität Münster, Corrensstrasse 40, 48149 Münster (Germany), Fax: (+49) 251-833-6503Search for more papers by this authorStefan Grimme Prof. Dr., Stefan Grimme Prof. Dr. [email protected] Organisch-Chemisches Institut der Universität Münster, Corrensstrasse 40, 48149 Münster (Germany), Fax: (+49) 251-833-6503Search for more papers by this authorDouglas W. Stephan Prof. Dr., Douglas W. Stephan Prof. Dr. [email protected] Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, ON M5S 3H6 (Canada) http://www.chem.utoronto.ca/staff/DSTEPHANSearch for more papers by this authorGerhard Erker Prof. Dr., Gerhard Erker Prof. Dr. [email protected] Organisch-Chemisches Institut der Universität Münster, Corrensstrasse 40, 48149 Münster (Germany), Fax: (+49) 251-833-6503Search for more papers by this author First published: 19 August 2009 https://doi.org/10.1002/anie.200901636Citations: 654 † Financial support from the Fonds der Chemischen Industrie and a gift of solvents from BASF is gratefully acknowledged by S.G. and G.E. E.O. is grateful for the support of a Netherlands Organisation for Scientific Research (NWO) postdoctoral fellowship. D.W.S. is grateful for the financial support of NSERC of Canada and the award of a Canada Research Chair. Read the full textAboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onEmailFacebookTwitterLinkedInRedditWechat Graphical Abstract Hot and bothered? Frustrated Lewis pairs comprising phosphine and borane react to reversibly bind and release CO2, offering a rare example of metal-free CO2 sequestration. The mechanism of formation of these CO2 derivatives 1 and 2 (see scheme) by almost simultaneous PC and OB bond formation was characterized by quantum chemical calculations. Supporting Information Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Filename Description anie_200901636_sm_miscellaneous_information.pdf404.8 KB miscellaneous_information Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article. References 1K. B. Lee, M. G. Beaver, H. S. Caram, S. Sircar, Ind. Eng. Chem. Res. 2008, 47, 8048. 2 2aR. Banerjee, A. Phan, B. Wang, C. Knobler, H. Furukawa, M. O’Keeffe, O. M. Yaghi, Science 2008, 319, 939; 2bJ. L. C. Rowsell, E. C. Spencer, J. Eckert, J. A. K. Howard, O. M. Yaghi, Science 2005, 309, 1350; 2cA. C. Sudik, A. R. Millward, N. W. Ockwig, A. P. Cote, J. Kim, O. M. Yaghi, J. Am. Chem. 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These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_request/cif. 1: a=11.3777(5), b=15.0238(6), c=18.5397(7) Å, α=89.614(2), β=83.862(2), γ=87.456(2)°, V=3147.8(2) Å3, Z=4, space group , T=150 K, unique data: 19 590 (Rint=0.077), observed data (I>2σ(I)): 14 703, parameters: 919, R=0.0378, wR2=0.1008. 3: a=14.7987(12), b=13.7596(9), c=15.5471(11) Å, β=104.334(4)°, V=3067.2(4) Å3, Z=4, space group P21/n, T=223 K, unique data: 5344 (Rint=0.0274), observed data (I>2σ(I)): 3738, parameters: 430, R=0.059, wR2=0.144. 20S. Mitu, M. C. Baird, Can. J. Chem. 2006, 84, 225. 21For computational and theoretical details see the Supporting Information. B97-D functional and DFT-D dispersion correction: 21aS. Grimme, J. Comput. Chem. 2006, 27, 1787; B2PLYP-D functional: 21bS. Grimme, J. Chem. Phys. 2006, 124, 034108; 21cT. Schwabe, S. Grimme, Acc. Chem. Res. 2008, 41, 569; AO basis sets: 21dA. Schäfer, C. Huber, R. Ahlrichs, J. Chem. 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