Publications
RUB » Organic Chemistry 1 » Huber » research

PUBLICATIONS

Papers

since 2014 at RU Bochum

52. (Review)
Patrick Wonner, Lukas Vogel, Robert Weiss, Stefan M. Huber
Brücken mit Chalkogenen
Nachrichten aus der Chemie 10/2018, 952-956. [Abstract] [Pdf]

51. (Review)
Lukas Vogel, Patrick Wonner, Stefan M. Huber*
Chalcogen Bonding: An Overview
Angew. Chem. Int. Ed. 2018, Just Accepted. [Abstract] [Pdf]
Chalkogenbrücken: eine Übersicht
Angew. Chem. 2018, Just Accepted. [Abstract] [Pdf]

50.
Elric Engelage, Nils Schulz, Flemming Heinen, Stefan M. Huber,* Donald Truhlar,*
Christopher J. Cramer*
Refined SMD Parameters for Bromine and Iodine Accurately Model Halogen‐Bonding Interactions in Solution
Chem. Eur. J. 2018, Accepted Article. [Abstract] [Pdf]

49.
Nils Schulz, Severin Schindler, Stefan M. Huber,* Mate Erdelyi*
NMR Determination of the Binding Constant of Ionic Species: A Caveat
J. Org. Chem. 2018, 83, 10881-10886. [Abstract] [Pdf]

48. (Cooperation: DFT calculations)
Nadine Zumbrägel, Christian Merten, Stefan M. Huber, Harald Gröger*
Enantioselective reduction of sulfur-containing cyclic imines through biocatalysis
Nat. Commun. 2018, 9, 1949-1957. [Abstract] [Pdf]

47.
Julian Stoesser, Gaspar Rojas, David Bulfield, Paulina I. Hidalgo, Jorge Pasán, Catalina Ruiz-Pérez, Claudio A. Jimenez*, Stefan M. Huber*
Halogen bonding two-point recognition with terphenyl derivatives
New. J. Chem. 2018, 42, 10476-10480. [Abstract] [Pdf]

46. (Highlight)
Patrick Wonner, Stefan M. Huber*
Selenverbindungen als Lewis-Säuren
GIT Labor-Fachzeitschrift 4/2018, 62-63.
Selenium-based Lewis Acids
GIT Laboratory Journal 4/2018, 24-25. [Abstract] [Pdf]

45.
Alexander Dreger, Elric Engelage, Bert Mallick, Paul D. Beer, Stefan M. Huber*
The role of charge in 1,2,3-triazol(ium)-based halogen bonding activators
Chem. Commun. 2018, 54, 4013-4016. [Abstract] [Pdf]

44.
Flemming Heinen, Elric Engelage, Alexander Dreger, Robert Weiss,* Stefan M. Huber*
Iod(III)-Derivate als Halogenbrücken-basierte Organokatalysatoren
Angew. Chem. 2018, 130, 3830-3833. [Abstract] [Pdf]
Iodine(III) derivatives as halogen bonding organocatalysts
Angew. Chem. Int. Ed. 2018, 57, 3892-3896. [Abstract] [Pdf]

43.
Nils Schulz, Pandian Sokkar, Elric Engelage, Severin Schindler, Mate Erdelyi, Elsa Sanchez-Garcia,* Stefan M. Huber*
XB, or not XB, that is the question: The Interaction Modes of Haloimidazolium Salts in Solution
Chem. Eur. J. 2018, 24, 3464-3473. [Abstract] [Pdf]

42.
Jonathan Thirman,* Elric Engelage, Stefan M. Huber, Martin Head-Gordon*
Probing the Interplay of Pauli Repulsion, Electrostatics, Dispersion and Charge Transfer in Halogen Bonding with Energy Decomposition Analysis
Phys. Chem. Chem. Phys. 2018, 20, 905-915. [Abstract] [Pdf]

41.
David Bulfield,* Stefan M. Huber*
Synthesis of Polyflourinated Biphenyls; Pushing the Boundaries of Suzuki–Miyaura Cross Coupling with Electron-Poor Substrates
J. Org. Chem. 2017, 82, 13188-13203. [Abstract] [Pdf]

40.
Jan-Philipp Gliese, Stefan H. Jungbauer, Stefan M. Huber*
A halogen-bonding-catalyzed Michael addition reaction
Chem. Commun. 2017, 53, 12052-12055. [Abstract] [Pdf]

39.
Patrick Wonner, Lukas Vogel, Florian Kniep, Stefan M. Huber*
Catalytic carbon-chlorine bond activation by selenium based chalcogen bond donors
Chem. Eur. J. 2017, 23, 16972-16975. [Abstract] [Pdf]

38.
Patrick Wonner, Lukas Vogel, Maximilian Düser, Luís Gomes, Florian Kniep, Bert Mallick, Daniel B. Werz, Stefan M. Huber*
Aktivierung einer Kohlenstoff-Halogen-Bindung durch selenbasierte Chalkogenbrücken
Angew. Chem. 2017, 129, 12172–12176. [Abstract] [Pdf]
Carbon–Halogen Bond Activation by Selenium-Based Chalcogen Bonding
Angew. Chem. Int. Ed. 2017, 56, 12009–12012. [Abstract] [Pdf]

37. (Review)
Stefan M. Huber*
Halogenbrücken in der Organokatalyse
Chem. Unserer Zeit 2017, 51, 37-39. [Abstract] [Pdf]

36. (Review)
Stefan M. Huber,* David Bulfield, Tatsuo Kaiho
Halogen Bond Donor Catalysis
Fine Chemicals 2016, 45, 42-52. [Article (in Japanese) available upon request.]

35. (Concept)
David Bulfield, Stefan M. Huber*
Halogen Bonding in Organic Synthesis and Organocatalysis
Chem. Eur. J. 2016, 22, 14434-14450. [Abstract] [Pdf]

34. (Author Profile)
Stefan M. Huber*
J. Phys. Org. Chem. 2016, 29, 4-5. [Abstract] [Pdf]

33.
Stefan H. Jungbauer, Stefan M. Huber*
Cationic multidentate halogen bond donors in halide abstraction organocatalysis: catalyst optimization by preorganization
J. Am. Chem. Soc. 2015, 137, 12110-12120. [Abstract] [Pdf]

32.
Stefan H. Jungbauer, Severin Schindler, Eberhardt Herdtweck, Sandro Keller,* Stefan M. Huber*
Multiple Multidentate Halogen Bonding in Solution, in the Solid State, and in the (Calculated) Gas Phase
Chem. Eur. J. 2015, 21, 13625-13636. [Abstract] [Pdf] // Corrigendum: [Pdf]

31.
Alexander Linke, Stefan H. Jungbauer, Stefan M. Huber,* Siegfried R. Waldvogel*
Potent affinity material for tracing acetone and related analytes based on molecular recognition by halogen bonds
Chem. Commun. 2015, 51, 2040-2043. [Abstract] [Pdf]

30. (Cooperation: DFT calculations)
James R. Frost, Stefan M. Huber, Stefan Breitenlechner, Christoph Bannwarth, Thorsten Bach*
Enantiotopos-selektive CH-Oxygenierung mit einem supramolekularen Ruthenium-Katalysator
Angew. Chem. 2015, 127, 701-705. [Abstract] [Pdf]
Enantiotopos-Selective CH Oxygenation Catalyzed by a Supramolecular Ruthenium Complex
Angew. Chem. Int. Ed. 2015, 54, 691-695. [Abstract] [Pdf]

29.
Stefan H. Jungbauer, David Bulfield, Florian Kniep, Christian W. Lehmann, Eberhardt Herdtweck, Stefan M. Huber*
Toward Molecular Recognition: Three-Point Halogen Bonding in the Solid State and in Solution
J. Am. Chem. Soc. 2014, 136, 16740-16743. [Abstract] [Pdf]

28.
Stefan H. Jungbauer, Sebastian M. Walter, Severin Schindler, Laxmidhar Rout, Florian Kniep, Stefan M. Huber*
Activation of a carbonyl compound by halogen bonding
Chem. Commun. 2014, 50, 6281-6284. [Abstract] [Pdf]

Independent work at TU Munich

27.
Riccardo Castelli, Severin Schindler, Sebastian M. Walter, Florian Kniep, Herman S. Overkleeft, Gijsbert A. Van der Marel, Stefan M. Huber,* Jeroen D. C. Codée*
Activation of Glycosyl Halides by Halogen Bonding
Chem. Asian J. 2014, 9, 2095-2098. [Abstract] [Pdf]

26. (Cooperation: DFT calculations)
Dominik Nitsch, Stefan M. Huber, Alexander Pöthig, Arjun Narayanan, George A. Olah, G. K. Surya Prakash, Thorsten Bach*
Chiral Propargylic Cations as Intermediates in SN1-Type Reactions: Substitution Pattern, Nuclear Magnetic Resonance Studies, and Origin of the Diastereoselectivity
J. Am. Chem. Soc. 2014, 136, 2851–2857. [Abstract] [Pdf]

25. (Account)
Stefan H. Jungbauer, Severin Schindler, Florian Kniep, Sebastian Walter, Laxmidhar Rout, Stefan M. Huber*
Multidentate Halogen-Bond Donors as Lewis Acidic Activators or Catalysts in
Halide Abstraction Reactions

Synlett 2013, 24, 2624-2628. [Abstract] [Pdf]

24. (Conference Report)
Anastassia N. Alexandrova,* Stefan M. Huber,* Ali Tavassoli*
The 3rd Transatlantic Frontiers in Chemistry Symposium
Chem. Eur. J. 2013, 19, 15777-15783. [Abstract] [Pdf]

23.
Florian Kniep, Stefan H. Jungbauer, Qi Zhang, Sebastian M. Walter, Severin Schindler, Ingo Schnapperelle, Eberhardt Herdtweck, Stefan M. Huber*
Organokatalyse mit neutralen multidentaten Halogenbrückendonoren
Angew. Chem. 2013, 125, 7166-7170. [Abstract] [Pdf]
Organocatalysis by Neutral Multidentate Halogen-Bond Donors
Angew. Chem. Int. Ed. 2013, 52, 7028-7032. [Abstract] [Pdf]

22.
Stefan M. Huber,* Joseph D. Scanlon, Elisa Jimenez-Izal, Jesus M. Ugalde, Ivan Infante*
On the directionality of halogen bonding
Phys. Chem. Chem. Phys. 2013, 15, 10350-10357. [Abstract] [Pdf]

21.
Sebastian M. Walter, Stefan H. Jungbauer, Florian Kniep, Severin Schindler, Eberhardt Herdtweck, Stefan M. Huber*
Perfluorinated versus cationic multidentate halogen-bond donors: A direct comparison
J. Fluorine Chem. 2013, 150, 14-20. [Abstract] [Pdf]

20.
Sebastian M. Walter, Mohammed G. Sarwar, Michael G. Chudzinski, Eberhardt Herdtweck, Alan J. Lough, Stefan M. Huber,* Mark S. Taylor*
Halogen bonding and pi-pi interactions in the solid state structure of a butadiynylene-linked bis(iodoperfluoroarene)
CrystEngComm 2013, 15, 3097-3101. [Abstract] [Pdf]

19.
Florian Kniep, Laxmidhar Rout, Sebastian M. Walter, Heide K. V. Bensch, Stefan H. Jungbauer, Eberhardt Herdtweck, Stefan M. Huber*
5-Iodo-1,2,3-triazolium-based multidentate halogen-bond donors as activating reagents
Chem. Commun. 2012, 48, 9299-9301. [Abstract] [Pdf]

18. (Cooperation: DFT calculations)
Anike Nörder, Sarah A. Warren, Eberhardt Herdtweck, Stefan M. Huber, Thorsten Bach*
Diastereotopos-Differentiation in the Rh-Catalyzed Amination of Benzylic Methylene Groups in the α-Position to a Stereogenic Center
J. Am. Chem. Soc. 2012, 134, 13524-13531. [Abstract] [Pdf]

17. (Cooperation: DFT calculations)
Philipp Fackler, Stefan M. Huber, Thorsten Bach*
Enantio- and Regioselective Epoxidation of Olefinic Double Bonds in Quinolones, Pyridones, and Amides Catalyzed by a Ruthenium Porphyrin Catalyst with a Hydrogen Bonding Site
J. Am. Chem. Soc. 2012, 134, 12869-12878. [Abstract] [Pdf]

16.
Stefan M. Huber,* Elisa Jimenez-Izal, Jesus M. Ugalde, Ivan Infante*
Unexpected Trends in Halogen-Bond Based Non-Covalent Adducts
Chem. Commun. 2012, 48, 7708-7710. [Abstract] [Pdf]

15.
Sebastian M. Walter, Florian Kniep, Laxmidhar Rout, Franz P. Schmidtchen, Eberhardt Herdtweck, Stefan M. Huber*
Isothermal Calorimetric Titrations on Charge-Assisted Halogen Bonds: Role of Entropy, Counterions, Solvent, and Temperature
J. Am. Chem. Soc. 2012, 134, 8507-8512. [Abstract] [Pdf]

14.
Florian Kniep, Sebastian M. Walter, Eberhardt Herdtweck, Stefan M. Huber*
4,4'-Azobis(halopyridinium) Derivatives: Strong Multidentate Halogen-Bond Donors with a Redox-Active Core
Chem. Eur. J. 2012, 18, 1306-1310. [Abstract] [Pdf]

13.
Sebastian M. Walter, Florian Kniep, Eberhardt Herdtweck, Stefan M. Huber*
Halogenbrücken-induzierte Aktivierung einer Kohlenstoff-Heteroatom-Bindung
Angew. Chem. 2011, 123, 7325-7329. [Abstract] [Pdf]
Halogen-Bond-Induced Activation of a Carbon-Heteroatom Bond
Angew. Chem. Int. Ed. 2011, 50, 7187-7191. [Abstract] [Pdf]

Postdoc, Ph.D. & Diploma Thesis

12.
Stefan M. Huber,* Frank W. Heinemann, Pierre Audebert, Robert Weiss*
4,5-Bis(dialkylamino)-Substituted Imidazolium Systems: Facile Access to N-Heterocyclic Carbenes with Self-Umpolung Option
Chem. Eur. J. 2011, 17, 13078-13086. [Abstract] [Pdf]

11.
Harald Maid, Philipp Böhm, Stefan M. Huber, Walter Bauer, Werner Hummel, Nobert Jux, Harald Gröger*
Eisenkatalyse zur In-situ-Regenerierung oxidierter Co-faktoren durch Aktivierung und Reduktion von Sauerstoff: ein synthetisches Metalloporphyrin als biomimetische NAD(P)H-Oxidase
Angew. Chem. 2011, 123, 2445-2448. [Abstract] [Pdf]
Iron Catalysis for In Situ Regeneration of Oxidized Co-factors by Activation and Reduction of Molecular Oxygen: A Synthetic Metalloporphyrin as a Biomimetic NAD(P)H-Oxidase
Angew. Chem. Int. Ed. 2011, 50, 2397-2400. [Abstract] [Pdf]

10.
Stefan M. Huber, Abdul Rehaman M.S., Francesco Aquilante, Christopher J. Cramer,* Laura Gagliardi*
What Active Space Adequately Describes Oxygen Activation by a late Transition Metal? CASPT2 and RASPT2 Applied to Intermediates from the Reaction of Oxygen with a Cu(I)-alpha-Ketocarboxylate
J. Chem. Theory Comput. 2009, 5, 2967-2976. [Abstract] [Pdf]

9.
Thomas Riis-Johannessen, Natalia D. Favera, Tanya K. Todorova, Stefan M. Huber, Laura Gagliardi, Claude Piguet*
Understanding, Controlling and Programming Cooperativity in Self-assembled Polynuclear Complexes in Solution
Chem. Eur. J. 2009, 15, 12702-12718. [Abstract] [Pdf]

8.
Stefan M. Huber,* André Hennig, Frank G. Pühlhofer, Robert Weiss*
From DMF to isatine: A novel and general one-pot synthesis of isatine and its N-unsubstituted derivatives via nucleophilic substitution reactions on 1,2-bis-(dimethylamino)-1,2-dichloro-ethene
J. Heterocyclic Chem. 2009, 46, 421-427. [Abstract] [Pdf]

7.
Stefan M. Huber, Mehmed Z. Ertem, Francesco Aquilante, Laura Gagliardi,* William B. Tolman,* Christopher J. Cramer*
Generating CuII-Oxyl/CuIII-Oxo Species from Cu(I)-alpha-Ketocarboxylate Complexes and Dioxygen: In Silico Studies on Ligand Effects and C-H-Activation Reactivity
Chem. Eur. J. 2009, 15, 4886-4895. [Abstract] [Pdf]

6.
Itsik Bar-Nahum, Aalo K. Gupta, Stefan M. Huber, Mehmed Z. Ertem, Christopher J. Cramer,* William B. Tolman*
Reduction of Nitrous Oxide to Dinitrogen by a Mixed Valent Tricopper-Disulfido Cluster
J. Am. Chem. Soc. 2009, 131, 2812-2814. [Abstract] [Pdf]

5.
Robert Weiss,* Matthias Bess, Stefan M. Huber,* Frank W. Heinemann
Nucleophilic beta-Oniovinylation: Concept, Mechanism, Scope, and Applications
J. Am. Chem. Soc. 2008, 130, 4610-4617. [Abstract] [Pdf]

4.
Robert Weiss,* Frank G. Pühlhofer, Stefan M. Huber
Syntheses and Reactions of Polycationically Substituted Azido- and Diazidobenzenes
Eur. J. Org. Chem. 2007, 31, 5270-5276. [Abstract] [Pdf]

3.
Sungjun Hong, Stefan M. Huber, Laura Gagliardi, Christopher J. Cramer,* William B. Tolman*
Copper(I)-alpha-Ketocarboxylate Complexes: Characterization and Dioxygen Reactions That Yield Copper−Oxygen Intermediates Capable of Hydroxylating Arenes
J. Am. Chem. Soc. 2007, 129, 14190-14192. [Abstract] [Pdf]

2.
Robert Weiss,* Stefan M. Huber, Frank W. Heinemann, Pierre Audebert, Frank G. Pühlhofer
Struktur, Stereoelektronik und Synthesepotenzial von 1,2-Bisonio-1,2-bis(dialkylamino)ethenen
Angew. Chem. 2006, 118, 8228-8231. [Abstract] [Pdf]
Structure, Stereoelectronics, and Synthetic Potential of 1,2-Bisonio-1,2-bis(dialkylamino)ethenes
Angew. Chem. Int. Ed. 2006, 45, 8059-8062. [Abstract] [Pdf]

1.
Robert Weiss,* Stefan M. Huber, Frank G. Pühlhofer
Massive Electrostatic Effects on Heteropolar C-C Disconnections: Transforming a Phenyl Anion into a Potent Leaving Group
Eur. J. Org. Chem. 2005, 16, 3530-3535. [Abstract] [Pdf]

Book Chapters

1.
Severin Schindler, Stefan M. Huber*
Halogen Bonds in Organic Synthesis and Organocatalysis (p. 167-203)
in:
Pierangelo Metrangolo, Giuseppe Resnati (Eds.)
Halogen Bonding II: Impact on Materials Chemistry and Life Science
Topics in Current Chemistry, Vol. 359, Springer 2015. [Link]

CONTACT


Ruhr-Universität Bochum
Fakultät für Chemie und Biochemie
Organische Chemie I

Prof. Dr. Stefan Huber
Mail: NC 4/171
Office: NC 5/132

Universitätsstraße 150
44801 Bochum
Germany

Tel.: (+49)234-32-21584

eMail: stefan.m.huber@rub.de

Office hours (Sprechzeiten):
Tue/Wed/Fri 10:00-11:00

Note: Office hours might be
cancelled due to absence.
Prior email contact is advised.