Works by Kaupp, Martin

Results: 135

Die höchsten Oxidationszustände der 5d-Elemente: der Fall Iridium(+VII)Wir danken M. Straka, R. Reviakine und M. Patzschke für hilfreiche Kommentare und technische Unterstützung.

Published in:

Angewandte Chemie, 2006, v. 118, n. 22, p. 3791, doi. 10.1002/ange.200600274

By:

Sebastian Riedel;
Martin Kaupp

Publication type:

Article

[Pb5{Mo(CO)3}2]4- - ein Polyanion mit einer planaren Pb5-Einheit.

Published in:

Angewandte Chemie, 2005, v. 117, n. 14, p. 2129, doi. 10.1002/ange.200462342

By:

Li Yong;
Stephan D. Hoffmann;
Thomas F. Fässler;
Sebastian Riedel;
Martin Kaupp

Publication type:

Article

Trigonal-prismatisch oder nicht trigonal-prismatisch? Zum Mechanismus der Sauerstoffatom-Übertragung in Molybdopterin-Enzymen ( Die Arbeiten des Autors auf diesem Gebiet wurden von der Deutschen Forschungsgemeinschaft und dem Fonds der Chemischen Industrie unterstützt. )

Published in:

Angewandte Chemie, 2004, v. 116, n. 5, p. 554, doi. 10.1002/ange.200301690

By:

Martin Kaupp

Publication type:

Article

Elementares Gallium als Quelle für niedervalente Gallium-Liganden in neuartigen Ga-Rh-Clustern ( Diese Arbeit wurde durch die Deutsche Forschungsgemeinschaft und den Fonds der Chemischen Industrie unterstützt. S.N.K. dankt dem DAAD, der DFG und dem RFBR(03-03-32374). Die Autoren bedanken sich bei der Degussa AG für Edelmetallspenden. )

Published in:

Angewandte Chemie, 2003, v. 115, n. 41, p. 5237, doi. 10.1002/ange.200351226

By:

Manfred Scheer;
Martin Kaupp;
Alexander V. Virovets;
Sergei N. Konchenko

Publication type:

Article

A Look at Real‐World Transition‐Metal Thermochemistry and Kinetics with Local Hybrid Functionals.

Published in:

Israel Journal of Chemistry, 2023, v. 63, n. 7/8, p. 1, doi. 10.1002/ijch.202200021

By:

Grotjahn, Robin;
Kaupp, Martin

Publication type:

Article

Unusually Large Effects of Charge‐assisted C−H⋅⋅⋅F Hydrogen Bonds to Anionic Fluorine in Organic Solvents: Computational Study of 19F NMR Shifts versus Thermochemistry.

Published in:

ChemistryOpen, 2022, v. 11, n. 12, p. 1, doi. 10.1002/open.202200146

By:

Kaupp, Martin;
Schattenberg, Caspar J.;
Müller, Robert;
Reimann, Marc

Publication type:

Article

From silicon(II)-based dioxygen activation to adducts of elusive dioxasiliranes and sila-ureas stable at room temperature.

Published in:

Nature Chemistry, 2010, v. 2, n. 7, p. 577, doi. 10.1038/nchem.666

By:

Yun Xiong;
Yao, Shenglai;
Müller, Robert;
Kaupp, Martin;
Driess, Matthias

Publication type:

Article

Carboalumination of a chromium–chromium quintuple bond.

Published in:

Nature Chemistry, 2009, v. 1, n. 4, p. 322, doi. 10.1038/nchem.255

By:

Noor, Awal;
Glatz, Germund;
Müller, Robert;
Kaupp, Martin;
Demeshko, Serhiy;
Kempe, Rhett

Publication type:

Article

Validation of broken-symmetry density functional methods for the calculation of electron paramagnetic resonance parameters of dinuclear mixed-valence MnIVMnIII complexes.

Published in:

Canadian Journal of Chemistry, 2009, v. 87, n. 10, p. 1521, doi. 10.1139/V09-094

By:

Schinzel, Sandra;
Kaupp, Martin

Publication type:

Article

What Determines the Lewis Acidity of a Bismuthane? Towards Bi‐Based FLPs.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 57, p. 1, doi. 10.1002/chem.202402154

By:

Hartmann, Charlotte U.;
Reimann, Marc;
Cula, Beatrice;
Kaupp, Martin;
Limberg, Christian

Publication type:

Article

Investigation of Isolated IrF5−, IrF6− Anions and M[IrF6] (M=Na, K, Rb, Cs) Ion Pairs by Matrix‐Isolation Spectroscopy and Relativistic Quantum‐Chemical Calculations.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 34, p. 1, doi. 10.1002/chem.202401015

By:

Lu, Yan;
Wodyński, Artur;
Reimann, Marc;
Medel, Robert;
Kaupp, Martin;
Riedel, Sebastian

Publication type:

Article

Structure and Photophysics of N‐Tolanyl‐phenochalcogenazines and their Radical Cations.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 19, p. 1, doi. 10.1002/chem.202303782

By:

Mentzel, Paul;
Holzapfel, Marco;
Schmiedel, Alexander;
Günther, Johanna;
Michel, Maximilian;
Krummenacher, Ivo;
Wodyński, Artur;
Kaupp, Martin;
Braunschweig, Holger;
Lambert, Christoph

Publication type:

Article

Controlling the Activation at NiII−CO22− Moieties through Lewis Acid Interactions in the Second Coordination Sphere.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 18, p. 1, doi. 10.1002/chem.202303112

By:

Wolff, Siad;
Pelmenschikov, Vladimir;
Müller, Robert;
Ertegi, Mervan;
Cula, Beatrice;
Kaupp, Martin;
Limberg, Christian

Publication type:

Article

A 2,2‐Difluoroimidazolidine Derivative for Deoxyfluorination Reactions: Mechanistic Insights by Experimental and Computational Studies.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 58, p. 1, doi. 10.1002/chem.202301556

By:

Herbstritt, Domenique;
Tomar, Pooja;
Müller, Robert;
Kaupp, Martin;
Braun, Thomas

Publication type:

Article

Hydrogen Bonding in Platinum Indolylphosphine Polyfluorido and Fluorido Complexes.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 7, p. 1, doi. 10.1002/chem.202202768

By:

Sander, Stefan;
Cosgrove, Elizabeth J.;
Müller, Robert;
Kaupp, Martin;
Braun, Thomas

Publication type:

Article

The Use of Bridging Ligand Substituents to Bias the Population of Localized and Delocalized Mixed‐Valence Conformers in Solution.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 44, p. 1, doi. 10.1002/chem.202200926

By:

Safari, Parvin;
Gückel, Simon;
Gluyas, Josef B. G.;
Moggach, Stephen A.;
Kaupp, Martin;
Low, Paul J.

Publication type:

Article

Synthesis of Intramolecular P/Al‐Based Frustrated Lewis Pairs via Aluminum‐Tin‐Exchange and their Reactivity toward CO2.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 25, p. 1, doi. 10.1002/chem.202200404

By:

Federmann, Patrick;
Müller, Robert;
Beckmann, Fabian;
Lau, Caroline;
Cula, Beatrice;
Kaupp, Martin;
Limberg, Christian

Publication type:

Article

Investigation of Molecular Iridium Fluorides IrFn (n=1–6): A Combined Matrix‐Isolation and Quantum‐Chemical Study.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 22, p. 1, doi. 10.1002/chem.202104005

By:

Lu, Yan;
Tsegaw, Yetsedaw A.;
Wodyński, Artur;
Li, Lin;
Beckers, Helmut;
Kaupp, Martin;
Riedel, Sebastian

Publication type:

Article

Competition for Hydride Between Silicon and Boron: Synthesis and Characterization of a Hydroborane‐Stabilized Silylium Ion.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 12, p. 1, doi. 10.1002/chem.202104464

By:

Gao, Haopeng;
Müller, Robert;
Irran, Elisabeth;
Klare, Hendrik F. T.;
Kaupp, Martin;
Oestreich, Martin

Publication type:

Article

Platinum Indolylphosphine Fluorido and Polyfluorido Complexes: An Interplay between Cyclometallation, Fluoride Migration, and Hydrogen Bonding.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 57, p. 14287, doi. 10.1002/chem.202102451

By:

Sander, Stefan;
Müller, Robert;
Ahrens, Mike;
Kaupp, Martin;
Braun, Thomas

Publication type:

Article

Matrix Isolation Spectroscopic and Relativistic Quantum Chemical Study of Molecular Platinum Fluorides PtFn (n=1–6) Reveals Magnetic Bistability of PtF4.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 54, p. 13642, doi. 10.1002/chem.202102055

By:

Senges, Gene;
Li, Lin;
Wodyński, Artur;
Beckers, Helmut;
Müller, Robert;
Kaupp, Martin;
Riedel, Sebastian

Publication type:

Article

The Supramolecular Structural Chemistry of Pentafluorosulfanyl and Tetrafluorosulfanylene Compounds.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 19, p. 6086, doi. 10.1002/chem.202100163

By:

Liebing, Phil;
Pitts, Cody Ross;
Reimann, Marc;
Trapp, Nils;
Rombach, David;
Bornemann, Dustin;
Kaupp, Martin;
Togni, Antonio

Publication type:

Article

Tetryl‐Tetrylene Addition to Phenylacetylene.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 14, p. 4691, doi. 10.1002/chem.202005119

By:

Maudrich, Jakob‐Jonathan;
Diab, Fatima;
Weiß, Sebastian;
Zweigart, Magda;
Eichele, Klaus;
Schubert, Hartmut;
Müller, Robert;
Kaupp, Martin;
Wesemann, Lars

Publication type:

Article

Quanteninterferenz in gemischtvalenten Komplexen: Modifikation elektronischer Kopplung durch Substituenteneffekte.

Published in:

Angewandte Chemie, 2022, v. 134, n. 45, p. 1, doi. 10.1002/ange.202211000

By:

Harrison, Daniel P.;
Grotjahn, Robin;
Naher, Masnun;
Ghazvini, Seyed M. B. H.;
Mazzucato, Daniel M.;
Korb, Marcus;
Moggach, Stephen A.;
Lambert, Colin;
Kaupp, Martin;
Low, Paul J.

Publication type:

Article

Ein neutrales 1,4‐Diborabenzol als π‐Ligand in Actinoidkomplexen.

Published in:

Angewandte Chemie, 2020, v. 132, n. 31, p. 13209, doi. 10.1002/ange.202004501

By:

Paprocki, Valerie;
Hrobárik, Peter;
Harriman, KatieL. M.;
Luff, Martin S.;
Kupfer, Thomas;
Kaupp, Martin;
Murugesu, Muralee;
Braunschweig, Holger

Publication type:

Article

C−H and C−F Bond Activation Reactions of Fluorinated Propenes at Rhodium: Distinctive Reactivity of the Refrigerant HFO‐1234yf.

Published in:

Angewandte Chemie, 2019, v. 131, n. 31, p. 10798, doi. 10.1002/ange.201902872

By:

Talavera, Maria;
von Hahmann, Cortney N.;
Müller, Robert;
Ahrens, Mike;
Kaupp, Martin;
Braun, Thomas

Publication type:

Article

Local hybrid functionals: Theory, implementation, and performance of an emerging new tool in quantum chemistry and beyond.

Published in:

WIREs: Computational Molecular Science, 2019, v. 9, n. 1, p. N.PAG, doi. 10.1002/wcms.1378

By:

Maier, Toni M.;
Arbuznikov, Alexei V.;
Kaupp, Martin

Publication type:

Article

Computation of Hyperfine Tensors for Dinuclear MnIIIMnIV Complexes by Broken-Symmetry Approaches: Anisotropy Transfer Induced by Local Zero-Field Splitting.

Published in:

ChemPhysChem, 2011, v. 12, n. 17, p. 3170, doi. 10.1002/cphc.201100443

By:

Schraut, Johannes;
Arbuznikov, Alexei V.;
Schinzel, Sandra;
Kaupp, Martin

Publication type:

Article

Hyperfine Coupling Tensors of the Benzosemiquinone Radical Anion from Car–Parrinello Molecular Dynamics.

Published in:

ChemPhysChem, 2007, v. 8, n. 1, p. 69, doi. 10.1002/cphc.200600325

By:

James R. Asher;
Martin Kaupp

Publication type:

Article

The Fluoride Ion Affinity Revisited: Do We Need the Anchor‐Point Approach?

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 26, p. 1, doi. 10.1002/chem.202404662

By:

Lehmann, Morten;
Balogun, Salimot Natalie;
Reimann, Marc;
Kaupp, Martin

Publication type:

Article

Gauge effects in local hybrid functionals evaluated for weak interactions and the GMTKN30 test set.

Published in:

Molecular Physics, 2016, v. 114, n. 7/8, p. 1118, doi. 10.1080/00268976.2016.1139209

By:

Theilacker, Kolja;
Arbuznikov, Alexei V.;
Kaupp, Martin

Publication type:

Article

Inside Cover: Giant Spin-Orbit Effects on NMR Shifts in Diamagnetic Actinide Complexes: Guiding the Search of Uranium(VI) Hydride Complexes in the Correct Spectral Range (Angew. Chem. Int. Ed. 43/2012).

Published in:

Angewandte Chemie International Edition, 2012, v. 51, n. 43, p. 10674, doi. 10.1002/anie.201207153

By:

Hrobárik, Peter;
Hrobáriková, Veronika;
Greif, Anja H.;
Kaupp, Martin

Publication type:

Article

Giant Spin-Orbit Effects on NMR Shifts in Diamagnetic Actinide Complexes: Guiding the Search of Uranium(VI) Hydride Complexes in the Correct Spectral Range.

Published in:

Angewandte Chemie International Edition, 2012, v. 51, n. 43, p. 10884, doi. 10.1002/anie.201204634

By:

Hrobárik, Peter;
Hrobáriková, Veronika;
Greif, Anja H.;
Kaupp, Martin

Publication type:

Article

A Trimetallic Gold Boride Complex with a Fluxional Gold-Boron Bond.

Published in:

Angewandte Chemie International Edition, 2009, v. 48, n. 51, p. 9735, doi. 10.1002/anie.200904774

By:

Braunschweig, Holger;
Brenner, Peter;
Dewhurst, Rian D.;
Kaupp, Martin;
Müller, Robert;
Östreicher, Sebastian

Publication type:

Article

Inside Cover: Formation and Characterization of the Iridium Tetroxide Molecule with Iridium in the Oxidation State +VIII (Angew. Chem. Int. Ed. 42/2009).

Published in:

Angewandte Chemie International Edition, 2009, v. 48, n. 42, p. 7708, doi. 10.1002/anie.200904022

By:

Gong, Yu;
Zhou, Mingfei;
Kaupp, Martin;
Riedel, Sebastian

Publication type:

Article

Formation and Characterization of the Iridium Tetroxide Molecule with Iridium in the Oxidation State +VIII.

Published in:

Angewandte Chemie International Edition, 2009, v. 48, n. 42, p. 7879, doi. 10.1002/anie.200902733

By:

Gong, Yu;
Zhou, Mingfei;
Kaupp, Martin;
Riedel, Sebastian

Publication type:

Article

Is Allred's [Hg(cyclam)].

Published in:

Angewandte Chemie International Edition, 2008, v. 47, n. 45, p. 8631, doi. 10.1002/anie.200802233

By:

Hrobárik, Peter;
Kaupp, Martin;
Riedel, Sebastian

Publication type:

Article

Unusual Silicon Coordination Polyhedra: Non-VSEPR Structures of Zwitterionic λ.

Published in:

Angewandte Chemie International Edition, 2007, v. 46, n. 37, p. 7001, doi. 10.1002/anie.200700785

By:

Troegel, Dennis;
Burschka, Christian;
Riedel, Sebastian;
Kaupp, Martin;
Tacke, Reinhold

Publication type:

Article

The DFT route to NMR chemical shifts.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 1, p. 91, doi. 10.1002/(SICI)1096-987X(19990115)20:1<91::AID-JCC10>3.0.CO;2-C

By:

Bühl, Michael;
Kaupp, Martin;
Malkina, Olga L.;
Malkin, Vladimir G.

Publication type:

Article

On the Relation between π Bonding, Electronegativity, and Bond Angles in High-Valent Transition Metal Complexes.

Published in:

Chemistry - A European Journal, 1999, v. 5, n. 12, p. 3631, doi. 10.1002/(SICI)1521-3765(19991203)5:12<3631::AID-CHEM3631>3.0.CO;2-1

By:

Kaupp, Martin

Publication type:

Article

Novel Complexes with a Short Tungsten-Phosphorus Triple Bond.

Published in:

Chemistry - A European Journal, 1999, v. 5, n. 10, p. 2890, doi. 10.1002/(SICI)1521-3765(19991001)5:10<2890::AID-CHEM2890>3.0.CO;2-#

By:

Kramkowski, Peter;
Baum, Gerhard;
Radius, Udo;
Kaupp, Martin;
Scheer, Manfred

Publication type:

Article

The Coordination Chemistry of the CF Group of Fluorocarbons: Thermodynamic Data and Ab Initio Calculations on CF-Metal Ion Interactions.

Published in:

Chemistry - A European Journal, 1999, v. 5, n. 9, p. 2566, doi. 10.1002/(SICI)1521-3765(19990903)5:9<2566::AID-CHEM2566>3.0.CO;2-3

By:

Buschmann, Hans-Jürgen;
Hermann, Jörg;
Kaupp, Martin;
Plenio, Herbert

Publication type:

Article

The Unusual Fluxional Structure of Tetramethyloxotungsten: Quantum Chemical Structure Predictions for the d0 and d1 Complexes [MOR4] (M=W, Re; R=H, CH3).

Published in:

Chemistry - A European Journal, 1998, v. 4, n. 10, p. 2059, doi. 10.1002/(SICI)1521-3765(19981002)4:10<2059::AID-CHEM2059>3.0.CO;2-4

By:

Kaupp, Martin

Publication type:

Article

The Nonoctahedral Structures of d0, d1, and d2 Hexamethyl Complexes.

Published in:

Chemistry - A European Journal, 1998, v. 4, n. 9, p. 1678, doi. 10.1002/(SICI)1521-3765(19980904)4:9<1678::AID-CHEM1678>3.0.CO;2-N

By:

Kaupp, Martin

Publication type:

Article

How Do Spin-Orbit-Induced Heavy-Atom Effects on NMR Chemical Shifts Function? Validation of a Simple Analogy to Spin-Spin Coupling by Density Functional Theory (DFT) Calculations on Some Iodo Compounds.

Published in:

Chemistry - A European Journal, 1998, v. 4, n. 1, p. 118, doi. 10.1002/(SICI)1521-3765(199801)4:1<118::AID-CHEM118>3.0.CO;2-6

By:

Kaupp, Martin;
Malkina, Olga L.;
Malkin, Vladimir G.;
Pyykkö, Pekka

Publication type:

Article

NMR Chemical-Shift Anomaly and Bonding in Piano-Stool Carbonyl and Related Complexes-an Ab Initio ECP/DFT Study.

Published in:

Chemistry - A European Journal, 1996, v. 2, n. 3, p. 348, doi. 10.1002/chem.19960020317

By:

Kaupp, Martin

Publication type:

Article

Ab Initio ECP/DFT Calculation and Interpretation of Carbon and Oxygen NMR Chemical Shift Tensors in Transition-Metal Carbonyl Complexes.

Published in:

Chemistry - A European Journal, 1996, v. 2, n. 1, p. 24, doi. 10.1002/chem.19960020108

By:

Kaupp, Martin;
Malkin, Vladimir G.;
Malkina, Olga L.;
Salahub, Dennis R.

Publication type:

Article

Quantum Interference in Mixed‐Valence Complexes: Tuning Electronic Coupling Through Substituent Effects.

Published in:

Angewandte Chemie International Edition, 2022, v. 61, n. 45, p. 1, doi. 10.1002/anie.202211000

By:

Harrison, Daniel P.;
Grotjahn, Robin;
Naher, Masnun;
Ghazvini, Seyed M. B. H.;
Mazzucato, Daniel M.;
Korb, Marcus;
Moggach, Stephen A.;
Lambert, Colin;
Kaupp, Martin;
Low, Paul J.

Publication type:

Article

Stable Actinide π Complexes of a Neutral 1,4‐Diborabenzene.

Published in:

Angewandte Chemie International Edition, 2020, v. 59, n. 31, p. 13109, doi. 10.1002/anie.202004501

By:

Paprocki, Valerie;
Hrobárik, Peter;
Harriman, Katie L. M.;
Luff, Martin S.;
Kupfer, Thomas;
Kaupp, Martin;
Murugesu, Muralee;
Braunschweig, Holger

Publication type:

Article

C−H and C−F Bond Activation Reactions of Fluorinated Propenes at Rhodium: Distinctive Reactivity of the Refrigerant HFO‐1234yf.

Published in:

Angewandte Chemie International Edition, 2019, v. 58, n. 31, p. 10688, doi. 10.1002/anie.201902872

By:

Talavera, Maria;
von Hahmann, Cortney N.;
Müller, Robert;
Ahrens, Mike;
Kaupp, Martin;
Braun, Thomas

Publication type:

Article