Odile Eisenstein

Image of Odile Eisenstein
Norwegian version of this page
Mobile phone +33689337253
Username
Visiting address Sem Sælands vei 26 0371 Oslo
Postal address Postboks 1033 0315 Oslo

 

Academic interests   

  • computational chemistry
  • reaction mechanisms
  • organometallic chemistry
  • homogeneous catalysis 
Tags: Chemistry

Publications

  • Peltzer, Raphael Mathias; Gauss, Jürgen; Eisenstein, Odile & Cascella, Michele (2020). The Grignard Reaction − Unraveling a Chemical Puzzle. Journal of the American Chemical Society. ISSN 0002-7863. 142(6), p. 2984–2994. doi: 10.1021/jacs.9b11829. Full text in Research Archive
  • Raynaud, Christophe; Norbert-Agaisse, Eliott; James, Brian R. & Eisenstein, Odile (2020). 31P Chemical Shifts in Ru(II) Phosphine Complexes. A Computational Study of the Influence of the Coordination Sphere. Inorganic Chemistry. ISSN 0020-1669. 59, p. 17038–17048. doi: 10.1021/acs.inorgchem.0c02256. Full text in Research Archive
  • Eisenstein, Odile; Ujaque, Gregori & Lledos, Agusti (2020). What Makes a Good (Computed) Energy Profile? In Lledos, Agusti & Ujaque, Gregori (Ed.), New Directions in the Modeling of Organometallic Reactions. Springer. ISSN 978-3-030-56995-2. p. 1–38. doi: 10.1007/3418_2020_57.
  • Yang, Jian; Postils, Verònica; Lipschutz, Michael I.; Fasulo, Meg; Raynaud, Christophe & Clot, Eric [Show all 8 contributors for this article] (2020). Efficient alkene hydrosilation with bis(8-quinolyl)phosphine (NPN) nickel catalysts. The dominant role of silyl-over hydrido-nickel catalytic intermediates. Chemical Science. ISSN 2041-6520. 11(19), p. 5043–5051. doi: 10.1039/d0sc00997k. Full text in Research Archive
  • Eisenstein, Odile (2019). Concluding remarks for “Mechanistic Processes in Organometallic Chemistry”: the importance of a multidisciplinary approach . Faraday discussions. ISSN 1359-6640. 220, p. 489–495. doi: 10.1039/c9fd00101h.
  • Gordon, Christopher P.; Culver, Damien B; Conley, Matthew P; Eisenstein, Odile; Andersen, Richard A & Copéret, Christophe (2019). π-Bond Character in Metal–Alkyl Compounds for C–H Activation: How, When, and Why? Journal of the American Chemical Society. ISSN 0002-7863. 141(1), p. 648–656. doi: 10.1021/jacs.8b11951.
  • Gordon, Christopher P.; Raynaud, Christophe; Andersen, Richard A; Copéret, Christophe & Eisenstein, Odile (2019). Carbon-13 NMR Chemical Shift: A Descriptor for Electronic Structure and Reactivity of Organometallic Compounds. Accounts of Chemical Research. ISSN 0001-4842. 52(8), p. 2278–2289. doi: 10.1021/acs.accounts.9b00225.
  • Gordon, Christopher; Shirase, Satoru; Yamamoto, Keishi; Andersen, Richard A; Eisenstein, Odile & Copéret, Christophe (2018). NMR chemical shift analysis decodes olefin oligo- and polymerization activity of d0 group 4 metal complexes. Proceedings of the National Academy of Sciences of the United States of America. ISSN 0027-8424. 115(26), p. E5867–E5876. doi: 10.1073/pnas.1803382115. Full text in Research Archive
  • Artus Suarez, Lluis; Culakova, Zuzana; Balcells, David; Bernskoetter, Wesley H; Eisenstein, Odile & Goldberg, Karen I. [Show all 9 contributors for this article] (2018). The Key Role of the Hemiaminal Intermediate in the Iron-Catalyzed Deaminative Hydrogenation of Amides. ACS Catalysis. ISSN 2155-5435. 8(9), p. 8751–8762. doi: 10.1021/acscatal.8b02184.
  • Gordon, Christopher P.; Yamamoto, Keishi; Searles, Keith; Shirase, Satoru; Andersen, Richard A & Eisenstein, Odile [Show all 7 contributors for this article] (2018). Metal alkyls programmed to generate metal alkylidenes by a-H abstraction: prognosis from NMR chemical shift. Chemical Science. ISSN 2041-6520. 9(7), p. 1912–1918. doi: 10.1039/c7sc05039a. Full text in Research Archive
  • Eisenstein, Odile; Milani, Jessica & Perutz, Robin N. (2017). Selectivity of C-H Activation and Competition between C-H and C-F Bond Activation at Fluorocarbons. Chemical Reviews. ISSN 0009-2665. 117(13), p. 8710–8753. doi: 10.1021/acs.chemrev.7b00163.
  • Gordon, Christopher P.; Yamamoto, Keishi; Liao, Wei-Chih; Allouche, Florian; Andersen, Richard A & Copéret, Christophe [Show all 8 contributors for this article] (2017). Metathesis Activity Encoded in the Metallacyclobutane Carbon-13 NMR Chemical Shift Tensors. ACS Central Science. ISSN 2374-7943. 3(7), p. 759–768. doi: 10.1021/acscentsci.7b00174. Full text in Research Archive
  • Yamamoto, Keishi; Gordon, Christopher P.; Liao, Wei-Chih; Copéret, Christophe; Raynaud, Christophe & Eisenstein, Odile (2017). Orbital Analysis of Carbon-13 Chemical Shift Tensors Reveals Patterns to Distinguish Fischer and Schrock Carbenes. Angewandte Chemie International Edition. ISSN 1433-7851. 56(34), p. 10127–10131. doi: 10.1002/anie.201701537.
  • Estes, Deven P.; Gordon, Christopher P.; Fedorov, Alexey; Liao, Wei-Chih; Ehrhorn, Henrike & Bittner, Celine [Show all 13 contributors for this article] (2017). Molecular and silica-supported molybdenum aqlkyne metathesis catalysts: influence of electronics and dynamics on activity revealed by kinetics, solid-state NMR, and chemical shift analysis. Journal of the American Chemical Society. ISSN 0002-7863. 139(48), p. 17597–17607. doi: 10.1021/jacs.7b09934.
  • Peltzer, Raphael Mathias; Eisenstein, Odile; Nova, Ainara & Cascella, Michele (2017). How Solvent Dynamics Controls the Schlenk Equilibrium of Grignard Reagents: A Computational Study of CH3MgCl in Tetrahydrofuran. Journal of Physical Chemistry B. ISSN 1520-6106. 121(16), p. 4226–4237. doi: 10.1021/acs.jpcb.7b02716. Full text in Research Archive
  • Balcells, David; Clot, Eric; Eisenstein, Odile; Nova, Ainara & Perrin, Lionel (2016). Deciphering Selectivity in Organic Reactions: A Multifaceted Problem. Accounts of Chemical Research. ISSN 0001-4842. 49(5), p. 1070–1078. doi: 10.1021/acs.accounts.6b00099.
  • Halbert, Stephanie; Copéret, Christophe; Raynaud, Christophe & Eisenstein, Odile (2016). Elucidating the Link between NMR Chemical Shifts and Electronic Structure in Olefin Metathesis Catalysts. Journal of the American Chemical Society. ISSN 0002-7863. 138(7), p. 2261–2272. doi: 10.1021/jacs.5b12597.
  • Balcells, David; Eisenstein, Odile; Tilset, Mats & Nova, Ainara (2016). Coordination and insertion of alkenes and alkynes in AuIII complexes: nature of the intermediates from a computational perspective. Dalton Transactions. ISSN 1477-9226. 45(13), p. 5504–5513. doi: 10.1039/c5dt05014f.
  • Hennum, Martin; Fliegl, Heike; Gundersen, Lise-Lotte & Eisenstein, Odile (2014). Mechanistic insights on the stereoselective nucleophilic 1,2-addition to sulfinyl imines. Journal of Organic Chemistry. ISSN 0022-3263. 79(6), p. 2514–2521. doi: 10.1021/jo402802j.
  • Nova, Ainara; Suh, Hee-Won; Schmeier, Timothy J.; Guard, Louise M.; Eisenstein, Odile & Hazari, Nilay [Show all 7 contributors for this article] (2014). An unusual example of hypervalent silicon: a five-coordinate silyl group bridging two palladium or nickel centers through a nonsymmetrical four-center two-electron bond. Angewandte Chemie International Edition. ISSN 1433-7851. 53(4), p. 1103–1108. doi: 10.1002/anie.201307618.
  • Møllendal, Harald; Balcells, David; Eisenstein, Odile; Syversen, Linda & Suissa, Michal Rachel (2014). Conformational Complexity of Morphine and Morphinum in the Gas Phase and in Water. A DFT and MP2 Study. RSC Advances. ISSN 2046-2069. 4(47), p. 24729–24735. doi: 10.1039/c4ra02992e.
  • Nova, Ainara; Taylor, David; Blacker, A. John; Duckett, Simon B.; Perutz, Robin N. & Eisenstein, Odile (2014). Computational studies explain the importance of two different substituents on the chelating bis(amido) ligand for transfer hydrogenation by bifunctional Cp*Rh(III) catalysts. Organometallics. ISSN 0276-7333. 33(13), p. 3433–3442. doi: 10.1021/om500356e.
  • Aasheim, Jens Harald; Fliegl, Heike; Uggerud, Einar; Bonge-Hansen, Tore & Eisenstein, Odile (2014). Stereoselectivity through a network of non-classical CH weak interactions: A prospective study of a bicyclic organocatalytic scaffold. New Journal of Chemistry. ISSN 1144-0546. 38(12), p. 5975–5982. doi: 10.1039/c4nj01460j.
  • Langseth, Eirin; Scheuermann, Margaret Louise; Balcells, David; Kaminsky, Werner; Goldberg, Karen I. & Eisenstein, Odile [Show all 8 contributors for this article] (2013). Generation and Structural Characterization of a Gold(III) Alkene Complex. Angewandte Chemie International Edition. ISSN 1433-7851. 52(6), p. 1660–1663. doi: 10.1002/anie.201209140.

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  • Eisenstein, Odile (2020). Solvent role on organometallic reactions .
  • Eisenstein, Odile (2019). Reactivity in organometallic complexes from Dynamic and solid-state NMR .
  • Eisenstein, Odile (2019). « Quantum based » Computational chemistry: An interpret for structures and properties during chemical reaction .
  • Eisenstein, Odile (2019). Computations trying to catch up with experiments .
  • Eisenstein, Odile (2019). Anisotropy of Solid State NMR Chemical Shift Signal and the Analysis of the Metal Alkyl Bond in d0 Metal Alkyl Complexes.
  • Eisenstein, Odile (2019). Art and Chemistry, Chemistry and Art.
  • Eisenstein, Odile (2019). Challenging computational chemistry with chemical questions.
  • Eisenstein, Odile; Raynaud, Christophe; Coperet, Christophe; Andersen, Richard A & Gordon, Christopher (2019). To have and have not: the NMR signature of metal-C p bond .
  • Eisenstein, Odile (2019). Information about reactivity from NMR? An approach combining solid state NMR and quantum calculations .
  • Eisenstein, Odile; Raynaud, Christophe & Coperet, Christophe (2019). Anisotropy of solid state NMR Chemical Shift signal informs on the π character of M-alkyl σ-bond in d0metal alkyl complexes .
  • Eisenstein, Odile (2019). Some insight in the mechanism of the Grignard reaction .
  • Eisenstein, Odile (2019). The 13C Solid State NMR Signature of Metal-bonded Carbon: An information of Bonding and Reactivity .
  • Eisenstein, Odile (2018). Information about reactivity from NMR? An approach combining solid state NMR and quantum calculations .
  • Eisenstein, Odile; Raynaud, Christophe & Coperet, Christophe (2018). Information about reactivity from NMR? An approach combining solid state NMR and quantum calculations .
  • Eisenstein, Odile (2018). Chemistry: the Color of Universe.
  • Eisenstein, Odile (2018). Analyzing reaction pathway: is there an alternative to energy ? .
  • Eisenstein, Odile (2018). The adventures of a computational chemist among chemists .
  • Eisenstein, Odile (2018). Analyzing reaction pathway Is there an alternative to energy? .
  • Eisenstein, Odile (2018). Information about reactivity from NMR? An approach combining solid state NMR and quantum calculations .
  • Eisenstein, Odile (2018). Information about reactivity from NMR? An approach combining solid state NMR and quantum calculations .
  • Mennucci, Benedetta; Eisenstein, Odile; Fliegl, Heike; Hopmann, Kathrin Helen; Helgaker, Trygve & Ruud, Kenneth (2015). FemEx—Female Excellence in Theoretical and Computational Chemistry. International Journal of Quantum Chemistry. ISSN 0020-7608. doi: 10.1002/qua.24961.
  • Hennum, Martin; Fliegl, Heike; Gundersen, Lise-Lotte & Eisenstein, Odile (2014). Mechanistic insights on the stereoselective nucleophilic 1,2-addition to sulfinyl imines.
  • Møllendal, Harald; Balcells, David; Eisenstein, Odile & Suissa, Michal Rachel (2014). Conformational analysis and theoretical calculations of morphine and morphinum, in the gas phase and in water: A DFT and MP2 study.
  • Hennum, Martin; Eisenstein, Odile; Fliegl, Heike & Gundersen, Lise-Lotte (2013). Mechanistic insights on the stereoselective nucleophilic 1,2-addition to sulfinyl imines.
  • Langseth, Eirin; Scheuermann, Margaret L.; Balcells, David; Kaminsky, Werner; Goldberg, Karen I. & Eisenstein, Odile [Show all 8 contributors for this article] (2013). Generation and Structural Characterization of a Gold(III) Alkene Complex. Angewandte Chemie International Edition. ISSN 1433-7851. 52.
  • Langseth, Eirin; Scheuermann, Margaret Louise; Balcells, David; Kaminsky, Werner; Goldberg, Karen I. & Eisenstein, Odile [Show all 8 contributors for this article] (2013). Generation and structural characterization of a gold(III) alkene complex.
  • Langseth, Eirin; Scheuermann, Margaret Louise; Balcells, David; Kaminsky, Werner; Goldberg, Karen I. & Eisenstein, Odile [Show all 8 contributors for this article] (2013). Cyclometalated Gold(III) Complexes and a Gold(III) Alkene Complex.

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Published May 7, 2012 2:31 PM - Last modified Aug. 27, 2012 3:36 PM