Publications

Research Publications

• [1] Synthesis, molecular dynamics and electronic structure of a stable platinum α-carbonyl diazoalkane complex
  Bernd F. Straub, Peter Hofmann*, Inorg. Chem. Commun. 1998, 1, 350-353.
• [2] A remarkably stable copper(I) ethylene complex: synthesis, spectroscopy and structure
  Bernd F. Straub, Frank Eisenträger, Peter Hofmann*, Chem. Commun. 1999, 2507-2508.
• [3] A Trigonal Planar μ₃-Fluorido Coinage Metal Complex from a Dicationic Diphosphinomethane Copper(I) Dimer: Syntheses, Structures, and Bonding
  Bernd F. Straub, Frank Rominger, Peter Hofmann*, Inorg. Chem. 2000, 39, 2113-2119.
• [4] Transition metal α-carbonyl diazoalkane coordination chemistry: structures derived from a side-on diazomalonate platinum complex
  Bernd F. Straub, Frank Rominger, Peter Hofmann*, Inorg. Chem. Commun. 2000, 3, 214-217.
• [5] Diazoalkane chemistry of palladium: synthesis of a diphosphinomethanide complex from dimethyl diazomalonate by N₂ loss and proton transfer
  Bernd F. Straub, Frank Rominger, Peter Hofmann*, Inorg. Chem. Commun. 2000, 3, 358-360.
• [6] A neutral dicopper(III) bis(μ-oxo) complex from a copper(I) ethylene iminophosphanamide and O₂
  Bernd F. Straub, Frank Rominger, Peter Hofmann*, Chem. Commun. 2000, 1611-1612.
• [7] A Fluxional α-Carbonyl Diazoalkane Complex of Copper Relevant to Catalytic Cyclopropanation: Synthesis, Structure, and Bonding
  Bernd F. Straub, Frank Rominger, Peter Hofmann*, Organometallics 2000, 19, 4305-4309.
• [8] Facile synthesis of a ruthenium carbene complex with a cis-chelating diphosphinoethane ligand
  Martin A. O. Volland, Bernd F. Straub, Frank Rominger, Peter Hofmann*, J. Organomet. Chem. 2001, 617-618, 288-291.
• [9] Copper(I) Carbenes: The Synthesis of Active Intermediates in Copper-Catalyzed Cyclopropanation
  Bernd F. Straub, Peter Hofmann*, Angew. Chem. 2001, 113, 1328-1330; Angew. Chem. Int. Ed. 2001, 40, 1288-1290 (announced as “very important paper”).
• [10] The Mechanism of Hydroamination of Allenes, Alkynes, and Alkenes Catalyzed by Cyclopentadienyltitanium-Imido Complexes: A Density Functional Study
  Bernd F. Straub*, Robert G. Bergman*, Angew. Chem. 2001, 113, 4768-4771; Angew. Chem. Int. Ed. 2001, 40, 4632-4635.
• [11] [P,P-Di-tert-butyl-N-trimethylsilyl-P-(trimethylsilylamino)phosphine imidato-κ²N,N']bis(pyridine-κN)lithium(I)
  Madeleine Schultz, Bernd F. Straub, Peter Hofmann*, Acta Cryst., Sect. C 2002, 58, m256-m257.
• [12] The Pd(0) Mechanism of Palladium-Catalyzed Cyclopropanation of Alkenes by CH₂N₂: A DFT Study.
  Bernd F. Straub*, J. Am. Chem. Soc. 2002, 124, 14195-14201.
• [13] Sterically crowded diphosphinomethane ligands: molecular structures, UV-photoelectron spectroscopy and a convenient general synthesis of tBu₂PCH₂PtBu₂ and related species.
  Frank Eisenträger, Alexander Göthlich, Irene Gruber, Helmut Heiss, Christoph A. Kiener, Carl Krueger, J. Ulrich Notheis, Frank Rominger, Gunter Scherhag, Madeleine Schultz, Bernd F. Straub, Martin A. O. Volland, Peter Hofmann*, New J. Chem. 2003, 27, 540-550.
• [14] Mechanism of copper(I)-catalyzed cyclopropanation: A DFT study calibrated with copper(I) alkene complexes
  Bernd F. Straub, Irene Gruber, Frank Rominger, Peter Hofmann*, J. Organomet. Chem. 2003, 684, 124-143.
• [15] Mechanism of Reppe’s Nickel-Catalyzed Ethyne Tetramerization to Cyclooctatetraene: A DFT Study
  Bernd F. Straub*, Caroline Gollub, Chem. Eur. J. 2004, 10, 3081-3090.
• [16] Gold(I) or Gold(III) as Active Species in AuCl₃-catalyzed Cyclization/Cycloaddition Reactions? A DFT Study.
  Bernd F. Straub*, Chem. Commun. 2004, 1726-1728.
• [17] Mechanism of Enyne Metathesis Catalyzed by Grubbs Ruthenium-Carbene Complexes: A DFT Study
  Jörg J. Lippstreu, Bernd F. Straub*, J. Am. Chem. Soc. 2005, 127, 7444-7457.
• [18] Origin of the High Activity of Second-Generation Grubbs Catalysts
  Bernd F. Straub*, Angew. Chem. 2005, 117, 6129-6132; Angew. Chem. Int. Ed. 2005, 44, 5974-5978.
• [19] Highly Efficient Reagents for Br/Mg-Exchange
  Arkady Krasovskiy, Bernd F. Straub*, Paul Knochel*, Angew. Chem. 2006, 118, 165-169; Angew. Chem. Int. Ed. 2006, 45, 159-162.
• [20] One-Pot Syntheses of Sterically Shielded Phosphorus Ligands by Selective Stepwise Nucleophilic Substitution at Triphenyl Phosphite
  Jan Keller, Clemens Schlierf, Christoph Nolte, Peter Mayer, Bernd F. Straub*, Synthesis 2006, 354-365.
• [21] Ligand Influence on Metathesis Activity of Ruthenium Carbene Catalysts: A DFT Study
  Bernd F. Straub*, Adv. Synth. Catal. 2007, 349, 204-214.
• [22] Isolation of a Copper(I) Triazolide “Click” Complex
  Christoph Nolte, Peter Mayer, Bernd F. Straub*, Angew. Chem. 2007, 119, 2147-2149; Angew. Chem. Int. Ed. 2007, 46, 2101-2103 (announced as “hot paper”).
• [23] μ-Acetylide and μ-Alkenylidene Ligands in “Click” Triazole Syntheses
  Bernd F. Straub*, Chem. Commun. 2007, 3868-3870.
• [24] Oxygen-Mediated Equilibration of Diastereomeric Alkene-Palladium(II) Intermediates in Enantioselective Desymmetrizing Heck Cyclizations
  Axel B. Machotta, Bernd F. Straub,* and Martin Oestreich*, J. Am. Chem. Soc. 2007, 129, 13455-13463.
• [25] Palladium-Catalyzed Cyclopropanation of Alkenyl Silanes by Diazoalkanes: Evidence for a Pd⁰ Mechanism
  Guillaume Berthon-Gelloz, Mélanie Marchant, Bernd F. Straub,* Istvan E. Marko*, Chem. Eur. J. 2009, 10, 3081-3090.
• [26] Photoactivation of Ruthenium Olefin Metathesis Initiators
  Amos Ben-Asuly, Anna Aharoni, Charles E. Diesendruck, Yuval Vidavsky, Israel Goldberg, Bernd F. Straub, N. Gabriel Lemcoff*, Organometallics 2009, 28, 4652-4655.
• [27] Predicting the Cis-Trans Dichloro Configuration of Group 15-16 Chelated Ruthenium Olefin Metathesis Complexes: A DFT and Experimental Study
  Charles E. Diesendruck, Eyal Tzur, Amos Ben-Asuly, Israel Goldberg, Bernd F. Straub*, N. Gabriel Lemcoff*, Inorg. Chem. 2009, 8, 10819-10825.
• [28] Modular Trimethylene-Linked Bisimidazol(in)ium Salts
  Michael Bessel, Frank Rominger, Bernd F. Straub*, Synthesis 2010, 1459-1466.
• [29] A Lipophilic, Fluorine-Free, Thermostable, Inexpensive, S₄-Symmetric, Highly Soluble, Weakly Coordinating, Protolabile Aluminate
  Bernd F. Straub*, Michael Wrede, Karin Schmid, Frank Rominger, Eur. J. Inorg. Chem. 2010, 1907-1911 (with cover page).
• [30] Preparation and N-Alkylation of 4-Aryl-1,2,4-triazoles
  Stefanie C. Holm, Alexander F. Siegle, Christian Loos, Frank Rominger, Bernd F. Straub*, Synthesis 2010, 2278-2286.
• [31] Synthesis, Structure, and Unprecedented Solubility of Lipophilic Borate Salts
  Michael Wrede, Viktoria Ganza, Geraldt Kannenberg, Frank Rominger, Bernd F. Straub, *, Inorganica Chimica Acta 2011, 369, 71-75.
• [32] A Synthesis of Pseudoconhydrine and Its Epimer via Hydroformylation and Dihydroxylation
  Roderick W. Bates*, K. Sivarajan, Bernd F. Straub, J. Org. Chem. 2011, 76, 6844-6848.
• [33] 1,3-Benzyl Migration in Iminium Ions: Evidence for a Fast Free-Radical Chain Reaction
  Nancy Blank, Bernd F. Straub*, Till Opatz*, Eur. J. Org. Chem. 2011, 7355-7365.
• [34] Highly Diastereoselective Arylations of Substituted Piperidines
  Stephanie Seel, Tobias Thaler, Keishi Takatsu, Cong Zhang, Hendrik Zipse, Bernd F. Straub, Peter Mayer, Paul Knochel*, J. Am. Chem. Soc. 2011, 133, 4774-4777.
• [35] Synthesis of an extremely sterically shielding N-heterocyclic carbene ligand
  Simone G. Weber, Christian Loos, Frank Rominger, Bernd F. Straub*, ARKIVOC 2012, 226-242.
• [36] Isolated Silver Intermediate of Gold Precatalyst Activation
  Simone G. Weber, Frank Rominger, Bernd F. Straub*, Eur. J. Inorg. Chem. 2012, 2863-2867.
• [37] Polyelectrolyte Gels Comprising a Lipophilic, Cost-Effective Aluminate as Fluorine-Free Absorbents for Chlorinated Hydrocarbons and Diesel Fuel
  Michael Wrede, Viktoria Ganza, Janina Bucher, Bernd F. Straub*, ACS Appl. Mater. Interfaces 2012, 4, 3453-3458.
• [38] Iridium-Catalyzed Allylic Substitution with Cyclometalated Phosphoramidite Complexes that Contain a Dibenzocyclooctatetraene Ligand: Preparation of (π-Allyl)Ir Complexes and Computational and NMR Spectroscopic Studies
  Jevgenij A. Raskatov, Mascha Jäkel, Bernd F. Straub, Frank Rominger, Günter Helmchen*, Chem. Eur. J. 2012, 18, 14314-14328.
• [39] Thiol-Functionalized 1,2,4-Triazolium Salt as Carbene Ligand Precursor
  Stefanie C. Holm, Frank Rominger, Bernd F. Straub*, J. Organomet. Chem. 2012, 719, 54-63.
• [40] CO₂ on a Tightrope: Stabilization, Room Temperature Decarboxylation, and Sodium-Induced Carboxylate Migration
  Achim Häußermann, Frank Rominger, Bernd F. Straub*, Chem. Eur. J. 2012, 18, 14174-14185.
• [41] A Cationic Gold Complex cleaves BArF₂₄
  Simone G. Weber, David Zahner, Frank Rominger, Bernd F. Straub*, Chem. Commun. 2012, 48, 11325-11327.
• [42] Highly Active Dinuclear Copper Catalysts for Homogeneous Azide-Alkyne-Cycloadditions
  Regina Berg, Johannes Straub, Ella Schreiner, Steffen Mader, Frank Rominger, Bernd F. Straub*, Adv. Synth. Catal. 2012, 354, 3445-3450.
• [43] Iodocyclization of o-Alkynylbenzamides Revisited: Formation of Isobenzofuran-1(3H)-imines and 1H-Isochromen-1-imines Instead of Lactams
  Claudine Schlemmer, Lars Andernach, Dieter Schollmeyer, Bernd F. Straub*, Till Opatz*, J. Org. Chem. 2012, 77, 10118–10124.
• [44] Mechanistic Investigations of a Stable, Highly Active, Extremely Sterically Shielded Molecular Gold Catalyst
  Simone G. Weber, David Zahner, Frank Rominger, Bernd F. Straub*, ChemCatChem 2013, available online (DOI: 10.1002/cctc.201200944).
• [45] Stepwise Deprotonation of a Thiol-Functionalized Bis(1,2,4-Triazolium) Salt as Selective Route to Heterometallic NHC Complexes
  Stefanie C. Seitz (née Holm), Frank Rominger, Bernd F. Straub*, Organometallics 2013, accepted.

Patents and Patent Applications

• Katalysatoren für [3+2]-Cycloadditionen terminaler Alkine
  Bernd F. Straub, Michael Bessel, Regina Berg, Ger. Offen. 2010, DE 102010035434
• Alkylated Group III lipophilic tetrasubstituted 2,2'-biphenolato metalates as stable, non-toxic and soluble noncoordinating anions
  Bernd F. Straub, Michael Wrede, Karin Schmid, Ger. Offen. 2011, DE 102009041864 A1 20110331

Reviews

• Synthesis of N-Substituted 1,2,4-Triazoles. A Review
  Stefanie Holm,* Bernd F. Straub*, Org. Prep. Proced. Int. 2011, 43, 319-347.

Book Chapters

• Dicopper Catalysts for the Azide Alkyne Cycloaddition: A Mechanistic DFT Study
  Bernd F. Straub*, Michael Bessel, Regina Berg, Chapter 13; pages 207-214.
  Modeling of Molecular Properties, edited by Peter Comba; Wiley-VCH 2011.
• Lipophilic Anions
  Bernd F. Straub*, Michael Wrede; Chapter 13; pages 469-472.
  Modeling of Molecular Properties, edited by Peter Comba; Wiley-VCH 2011.

Book Reviews

• Organic Syntheses based on Name Reactions, A. Hassner, C. Stumer,
  Synthesis 2003, 1467.
• Chemical Discovery and the Logicians’ Program, Jerome A. Berson. Philosophie im Spiegel der Chemiegeschichte,
  Chem. Unserer Zeit, 2004, 38, 71.
• Organotransition Metal Chemistry from Bonding to Catalysis, edited by John F. Hartwig,
  Angew. Chem. 2010, 122, 7786; Angew. Chem. Int. Ed. 2010, 49, 7622-7623.
• Basic Organometallic Chemistry, B. D. Gupta, A. J. Elias, Nachr. Chem. 2011, 59, 158.

Reports

• Bürgenstock 2003. Bernd F. Straub, Hans-Achim Wagenknecht,
  Nachr. Chem. 2003, 51, 918-921.
• Chemiedozententagung 2005. Bernd F. Straub,
  Nachr. Chem. 2005, 53, 568-569.
• Trendbericht Organische Chemie 2005, chapter „Metallorganische Chemie I: Strukturen und Mechanismen“,
  Nachr. Chem. 2006, 54, 241-258 (252-253).
• ADUC-Jahrespreise,
  Nachr. Chem. 2006, 54, 455.
• Trendbericht Organische Chemie 2006, chapter „Metallorganische Chemie I: Strukturen und Mechanismen“,
  Nachr. Chem. 2007, 55, 262-275 (260).
• Trendbericht Organische Chemie 2007, chapter „Metallorganische Chemie I: Strukturen und Mechanismen“,
  Nachr. Chem. 2008, 56, 269-294 (279-280).
• Trendbericht Organische Chemie 2008, chapter „Metallorganische Chemie I: Strukturen und Mechanismen“,
  Nachr. Chem. 2009, 57, 252-277 (260).
• Trendbericht Organische Chemie 2009, chapter „Metallorganische Chemie I: Strukturen und Mechanismen“,
  Nachr. Chem. 2010, 58, 267-299 (279).
• Trendbericht Organische Chemie 2010, chapter „Metallorganik: Strukturen und Mechanismen“,
  Nachr. Chem. 2011, 59, 254-283 (267).
• Trendbericht Organische Chemie 2011, chapter „Metallorganik: Strukturen und Mechanismen“,
  Nachr. Chem. 2012, 60, 265-299 (280-281).
• Trendbericht Organische Chemie 2012, chapter „Metallorganik: Strukturen und Mechanismen“,
  Nachr. Chem. 2013, 61, 265-297 (275-276).