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Reduction of Carbon Dioxide to Formate at Low Overpotential Using a Superbase Ionic Liquid.

Angewandte Chemie (International ed. in English)

Hollingsworth N, Taylor SF, Galante MT, Jacquemin J, Longo C, Holt KB, de Leeuw NH, Hardacre C.
PMID: 26403938
Angew Chem Int Ed Engl. 2015 Nov 16;54(47):14164-8. doi: 10.1002/anie.201507629. Epub 2015 Sep 25.

A new low-energy pathway is reported for the electrochemical reduction of CO2 to formate and syngas at low overpotentials, utilizing a reactive ionic liquid as the solvent. The superbasic tetraalkyl phosphonium ionic liquid [P66614][124Triz] is able to chemisorb CO2...

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Hollingsworth N, Taylor SF, Galante MT, et al. Reduction of Carbon Dioxide to Formate at Low Overpotential Using a Superbase Ionic Liquid. Angew Chem Int Ed Engl. 2015;54(47):14164-8doi: 10.1002/anie.201507629.
Hollingsworth, N., Taylor, S. F., Galante, M. T., Jacquemin, J., Longo, C., Holt, K. B., de Leeuw, N. H., & Hardacre, C. (2015). Reduction of Carbon Dioxide to Formate at Low Overpotential Using a Superbase Ionic Liquid. Angewandte Chemie (International ed. in English), 54(47), 14164-8. https://doi.org/10.1002/anie.201507629
Hollingsworth, Nathan, et al. "Reduction of Carbon Dioxide to Formate at Low Overpotential Using a Superbase Ionic Liquid." Angewandte Chemie (International ed. in English) vol. 54,47 (2015): 14164-8. doi: https://doi.org/10.1002/anie.201507629
Hollingsworth N, Taylor SF, Galante MT, Jacquemin J, Longo C, Holt KB, de Leeuw NH, Hardacre C. Reduction of Carbon Dioxide to Formate at Low Overpotential Using a Superbase Ionic Liquid. Angew Chem Int Ed Engl. 2015 Nov 16;54(47):14164-8. doi: 10.1002/anie.201507629. Epub 2015 Sep 25. PMID: 26403938; PMCID: PMC4648032.
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Rapid and reliable diagnosis of Wilson disease using X-ray fluorescence.

The journal of pathology. Clinical research

Kaščáková S, Kewish CM, Rouzière S, Schmitt F, Sobesky R, Poupon J, Sandt C, Francou B, Somogyi A, Samuel D, Jacquemin E, Dubart-Kupperschmitt A, Nguyen TH, Bazin D, Duclos-Vallée JC, Guettier C, Le Naour F.
PMID: 27499926
J Pathol Clin Res. 2016 Jun 06;2(3):175-86. doi: 10.1002/cjp2.48. eCollection 2016 Jul.

Wilson's disease (WD) is a rare autosomal recessive disease due to mutations of the gene encoding the copper-transporter ATP7B. The diagnosis is hampered by the variability of symptoms induced by copper accumulation, the inconstancy of the pathognomonic signs and...

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Kaščáková S, Kewish CM, Rouzière S, et al. Rapid and reliable diagnosis of Wilson disease using X-ray fluorescence. J Pathol Clin Res. 2016;2(3):175-86doi: 10.1002/cjp2.48.
Kaščáková, S., Kewish, C. M., Rouzière, S., Schmitt, F., Sobesky, R., Poupon, J., Sandt, C., Francou, B., Somogyi, A., Samuel, D., Jacquemin, E., Dubart-Kupperschmitt, A., Nguyen, T. H., Bazin, D., Duclos-Vallée, J. C., Guettier, C., & Le Naour, F. (2016). Rapid and reliable diagnosis of Wilson disease using X-ray fluorescence. The journal of pathology. Clinical research, 2(3), 175-86. https://doi.org/10.1002/cjp2.48
Kaščáková, Slávka, et al. "Rapid and reliable diagnosis of Wilson disease using X-ray fluorescence." The journal of pathology. Clinical research vol. 2,3 (2016): 175-86. doi: https://doi.org/10.1002/cjp2.48
Kaščáková S, Kewish CM, Rouzière S, Schmitt F, Sobesky R, Poupon J, Sandt C, Francou B, Somogyi A, Samuel D, Jacquemin E, Dubart-Kupperschmitt A, Nguyen TH, Bazin D, Duclos-Vallée JC, Guettier C, Le Naour F. Rapid and reliable diagnosis of Wilson disease using X-ray fluorescence. J Pathol Clin Res. 2016 Jun 06;2(3):175-86. doi: 10.1002/cjp2.48. eCollection 2016 Jul. PMID: 27499926; PMCID: PMC4958738.
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Structural and Optical Properties of Subporphyrinoids: A TD-DFT Study.

The journal of physical chemistry. A

Azarias C, Pawelek M, Jacquemin D.
PMID: 28514149
J Phys Chem A. 2017 Jun 08;121(22):4306-4317. doi: 10.1021/acs.jpca.7b03644. Epub 2017 May 26.

Using ab initio approaches accounting for environmental effects, we investigate the ground- and excited-state properties of four subporphyrinoids: subporphyrin, subporphyrazine, tribenzosubporphyrin, and subphthalocyanine. We first show that the selected level of theory, that is DFT(PBE0), is able to reproduce...

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Azarias C, Pawelek M, Jacquemin D. Structural and Optical Properties of Subporphyrinoids: A TD-DFT Study. J Phys Chem A. 2017;121(22):4306-4317doi: 10.1021/acs.jpca.7b03644.
Azarias, C., Pawelek, M., & Jacquemin, D. (2017). Structural and Optical Properties of Subporphyrinoids: A TD-DFT Study. The journal of physical chemistry. A, 121(22), 4306-4317. https://doi.org/10.1021/acs.jpca.7b03644
Azarias, Cloé, et al. "Structural and Optical Properties of Subporphyrinoids: A TD-DFT Study." The journal of physical chemistry. A vol. 121,22 (2017): 4306-4317. doi: https://doi.org/10.1021/acs.jpca.7b03644
Azarias C, Pawelek M, Jacquemin D. Structural and Optical Properties of Subporphyrinoids: A TD-DFT Study. J Phys Chem A. 2017 Jun 08;121(22):4306-4317. doi: 10.1021/acs.jpca.7b03644. Epub 2017 May 26. PMID: 28514149.
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Toward an Enhancement of the Photoactivity of Multiphotochromic Dimers Using Plasmon Resonance: A Theoretical Study.

The journal of physical chemistry letters

Fihey A, Le Guennic B, Jacquemin D.
PMID: 26267018
J Phys Chem Lett. 2015 Aug 06;6(15):3067-73. doi: 10.1021/acs.jpclett.5b01333. Epub 2015 Jul 23.

Building dimers of organic photochromic compounds paves the way to multifunctional switches, but such architectures often undergo partial photoreactivity only. Combining photochromism of molecules and plasmon resonance of gold nanoparticles (NPs) is known to affect the photochromism of monomers,...

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Fihey A, Le Guennic B, Jacquemin D. Toward an Enhancement of the Photoactivity of Multiphotochromic Dimers Using Plasmon Resonance: A Theoretical Study. J Phys Chem Lett. 2015;6(15):3067-73doi: 10.1021/acs.jpclett.5b01333.
Fihey, A., Le Guennic, B., & Jacquemin, D. (2015). Toward an Enhancement of the Photoactivity of Multiphotochromic Dimers Using Plasmon Resonance: A Theoretical Study. The journal of physical chemistry letters, 6(15), 3067-73. https://doi.org/10.1021/acs.jpclett.5b01333
Fihey, Arnaud, et al. "Toward an Enhancement of the Photoactivity of Multiphotochromic Dimers Using Plasmon Resonance: A Theoretical Study." The journal of physical chemistry letters vol. 6,15 (2015): 3067-73. doi: https://doi.org/10.1021/acs.jpclett.5b01333
Fihey A, Le Guennic B, Jacquemin D. Toward an Enhancement of the Photoactivity of Multiphotochromic Dimers Using Plasmon Resonance: A Theoretical Study. J Phys Chem Lett. 2015 Aug 06;6(15):3067-73. doi: 10.1021/acs.jpclett.5b01333. Epub 2015 Jul 23. PMID: 26267018.
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Efficient Light-Induced pK.

Angewandte Chemie (International ed. in English)

Gurke J, Budzák Š, Schmidt BM, Jacquemin D, Hecht S.
PMID: 29516590
Angew Chem Int Ed Engl. 2018 Apr 16;57(17):4797-4801. doi: 10.1002/anie.201801270. Epub 2018 Mar 23.

Photoswitchable acid-base pairs, whose pK

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Gurke J, Budzák Š, Schmidt BM, et al. Efficient Light-Induced pK. Angew Chem Int Ed Engl. 2018;57(17):4797-4801doi: 10.1002/anie.201801270.
Gurke, J., Budzák, �. �., Schmidt, B. M., Jacquemin, D., & Hecht, S. (2018). Efficient Light-Induced pK. Angewandte Chemie (International ed. in English), 57(17), 4797-4801. https://doi.org/10.1002/anie.201801270
Gurke, Johannes, et al. "Efficient Light-Induced pK." Angewandte Chemie (International ed. in English) vol. 57,17 (2018): 4797-4801. doi: https://doi.org/10.1002/anie.201801270
Gurke J, Budzák Š, Schmidt BM, Jacquemin D, Hecht S. Efficient Light-Induced pK. Angew Chem Int Ed Engl. 2018 Apr 16;57(17):4797-4801. doi: 10.1002/anie.201801270. Epub 2018 Mar 23. PMID: 29516590.
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N-Substituted Azacalixphyrins: Synthesis, Properties, and Self-Assembly.

Chemistry (Weinheim an der Bergstrasse, Germany)

Chen Z, Haddoub R, Mahé J, Marchand G, Jacquemin D, Andeme Edzang J, Canard G, Ferry D, Grauby O, Ranguis A, Siri O.
PMID: 27727465
Chemistry. 2016 Dec 05;22(49):17820-17832. doi: 10.1002/chem.201602288. Epub 2016 Oct 11.

Pre- and postintroduction of substituents with respect to the macrocyclization step leads to previously unknown N-substituted azacalixphyrins. The stepwise synthetic approach has been studied in detail to highlight the key role of the N-substituents of the precursors and/or intermediates...

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Chen Z, Haddoub R, Mahé J, et al. N-Substituted Azacalixphyrins: Synthesis, Properties, and Self-Assembly. Chemistry. 2016;22(49):17820-17832doi: 10.1002/chem.201602288.
Chen, Z., Haddoub, R., Mahé, J., Marchand, G., Jacquemin, D., Andeme Edzang, J., Canard, G., Ferry, D., Grauby, O., Ranguis, A., & Siri, O. (2016). N-Substituted Azacalixphyrins: Synthesis, Properties, and Self-Assembly. Chemistry (Weinheim an der Bergstrasse, Germany), 22(49), 17820-17832. https://doi.org/10.1002/chem.201602288
Chen, Zhongrui, et al. "N-Substituted Azacalixphyrins: Synthesis, Properties, and Self-Assembly." Chemistry (Weinheim an der Bergstrasse, Germany) vol. 22,49 (2016): 17820-17832. doi: https://doi.org/10.1002/chem.201602288
Chen Z, Haddoub R, Mahé J, Marchand G, Jacquemin D, Andeme Edzang J, Canard G, Ferry D, Grauby O, Ranguis A, Siri O. N-Substituted Azacalixphyrins: Synthesis, Properties, and Self-Assembly. Chemistry. 2016 Dec 05;22(49):17820-17832. doi: 10.1002/chem.201602288. Epub 2016 Oct 11. PMID: 27727465.
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Exploring the self-assembly and energy transfer of dynamic supramolecular iridium-porphyrin systems.

Dalton transactions (Cambridge, England : 2003)

Rota Martir D, Hedley GJ, Cordes DB, Slawin AM, Escudero D, Jacquemin D, Kosikova T, Philp D, Dawson DM, Ashbrook SE, Samuel ID, Zysman-Colman E.
PMID: 27722693
Dalton Trans. 2016 Nov 01;45(43):17195-17205. doi: 10.1039/c6dt02619b.

We present the first examples of dynamic supramolecular systems composed of cyclometalated Ir(iii) complexes of the form of [Ir(C^N)

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Rota Martir D, Hedley GJ, Cordes DB, et al. Exploring the self-assembly and energy transfer of dynamic supramolecular iridium-porphyrin systems. Dalton Trans. 2016;45(43):17195-17205doi: 10.1039/c6dt02619b.
Rota Martir, D., Hedley, G. J., Cordes, D. B., Slawin, A. M., Escudero, D., Jacquemin, D., Kosikova, T., Philp, D., Dawson, D. M., Ashbrook, S. E., Samuel, I. D., & Zysman-Colman, E. (2016). Exploring the self-assembly and energy transfer of dynamic supramolecular iridium-porphyrin systems. Dalton transactions (Cambridge, England : 2003), 45(43), 17195-17205. https://doi.org/10.1039/c6dt02619b
Rota Martir, Diego, et al. "Exploring the self-assembly and energy transfer of dynamic supramolecular iridium-porphyrin systems." Dalton transactions (Cambridge, England : 2003) vol. 45,43 (2016): 17195-17205. doi: https://doi.org/10.1039/c6dt02619b
Rota Martir D, Hedley GJ, Cordes DB, Slawin AM, Escudero D, Jacquemin D, Kosikova T, Philp D, Dawson DM, Ashbrook SE, Samuel ID, Zysman-Colman E. Exploring the self-assembly and energy transfer of dynamic supramolecular iridium-porphyrin systems. Dalton Trans. 2016 Nov 01;45(43):17195-17205. doi: 10.1039/c6dt02619b. PMID: 27722693.
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Combining the Bethe-Salpeter Formalism with Time-Dependent DFT Excited-State Forces to Describe Optical Signatures: NBO Fluoroborates as Working Examples.

Journal of chemical theory and computation

Boulanger P, Chibani S, Le Guennic B, Duchemin I, Blase X, Jacquemin D.
PMID: 26588148
J Chem Theory Comput. 2014 Oct 14;10(10):4548-56. doi: 10.1021/ct500552e.

We propose to use a blend of methodologies to tackle a challenging case for quantum approaches: the simulation of the optical properties of asymmetric fluoroborate derivatives. Indeed, these dyes, which present a low-lying excited-state exhibiting a cyanine-like nature, are...

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Boulanger P, Chibani S, Le Guennic B, et al. Combining the Bethe-Salpeter Formalism with Time-Dependent DFT Excited-State Forces to Describe Optical Signatures: NBO Fluoroborates as Working Examples. J Chem Theory Comput. 2014;10(10):4548-56doi: 10.1021/ct500552e.
Boulanger, P., Chibani, S., Le Guennic, B., Duchemin, I., Blase, X., & Jacquemin, D. (2014). Combining the Bethe-Salpeter Formalism with Time-Dependent DFT Excited-State Forces to Describe Optical Signatures: NBO Fluoroborates as Working Examples. Journal of chemical theory and computation, 10(10), 4548-56. https://doi.org/10.1021/ct500552e
Boulanger, Paul, et al. "Combining the Bethe-Salpeter Formalism with Time-Dependent DFT Excited-State Forces to Describe Optical Signatures: NBO Fluoroborates as Working Examples." Journal of chemical theory and computation vol. 10,10 (2014): 4548-56. doi: https://doi.org/10.1021/ct500552e
Boulanger P, Chibani S, Le Guennic B, Duchemin I, Blase X, Jacquemin D. Combining the Bethe-Salpeter Formalism with Time-Dependent DFT Excited-State Forces to Describe Optical Signatures: NBO Fluoroborates as Working Examples. J Chem Theory Comput. 2014 Oct 14;10(10):4548-56. doi: 10.1021/ct500552e. PMID: 26588148.
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Choosing a Functional for Computing Absorption and Fluorescence Band Shapes with TD-DFT.

Journal of chemical theory and computation

Charaf-Eddin A, Planchat A, Mennucci B, Adamo C, Jacquemin D.
PMID: 26583866
J Chem Theory Comput. 2013 Jun 11;9(6):2749-60. doi: 10.1021/ct4000795. Epub 2013 May 16.

The band shapes corresponding to both the absorption and emission spectra of a set of 20 representative conjugated molecules, including recently synthesized structures, have been simulated with a Time-Dependent Density Functional Theory model including diffuse atomic orbitals and accounting...

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Charaf-Eddin A, Planchat A, Mennucci B, et al. Choosing a Functional for Computing Absorption and Fluorescence Band Shapes with TD-DFT. J Chem Theory Comput. 2013;9(6):2749-60doi: 10.1021/ct4000795.
Charaf-Eddin, A., Planchat, A., Mennucci, B., Adamo, C., & Jacquemin, D. (2013). Choosing a Functional for Computing Absorption and Fluorescence Band Shapes with TD-DFT. Journal of chemical theory and computation, 9(6), 2749-60. https://doi.org/10.1021/ct4000795
Charaf-Eddin, Azzam, et al. "Choosing a Functional for Computing Absorption and Fluorescence Band Shapes with TD-DFT." Journal of chemical theory and computation vol. 9,6 (2013): 2749-60. doi: https://doi.org/10.1021/ct4000795
Charaf-Eddin A, Planchat A, Mennucci B, Adamo C, Jacquemin D. Choosing a Functional for Computing Absorption and Fluorescence Band Shapes with TD-DFT. J Chem Theory Comput. 2013 Jun 11;9(6):2749-60. doi: 10.1021/ct4000795. Epub 2013 May 16. PMID: 26583866.
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Boranil and Related NBO Dyes: Insights From Theory.

Journal of chemical theory and computation

Chibani S, Charaf-Eddin A, Le Guennic B, Jacquemin D.
PMID: 26583992
J Chem Theory Comput. 2013 Jul 09;9(7):3127-35. doi: 10.1021/ct400392r. Epub 2013 Jun 27.

The simulations of excited-state properties, that is, the 0-0 energies and vibronic shapes, of a large panel of fluorophores presenting a NBO atomic sequence have been achieved with a Time-Dependent Density Functional Theory (TD-DFT) approach. We have combined eight...

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Chibani S, Charaf-Eddin A, Le Guennic B, et al. Boranil and Related NBO Dyes: Insights From Theory. J Chem Theory Comput. 2013;9(7):3127-35doi: 10.1021/ct400392r.
Chibani, S., Charaf-Eddin, A., Le Guennic, B., & Jacquemin, D. (2013). Boranil and Related NBO Dyes: Insights From Theory. Journal of chemical theory and computation, 9(7), 3127-35. https://doi.org/10.1021/ct400392r
Chibani, Siwar, et al. "Boranil and Related NBO Dyes: Insights From Theory." Journal of chemical theory and computation vol. 9,7 (2013): 3127-35. doi: https://doi.org/10.1021/ct400392r
Chibani S, Charaf-Eddin A, Le Guennic B, Jacquemin D. Boranil and Related NBO Dyes: Insights From Theory. J Chem Theory Comput. 2013 Jul 09;9(7):3127-35. doi: 10.1021/ct400392r. Epub 2013 Jun 27. PMID: 26583992.
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On the Computation of Adiabatic Energies in Aza-Boron-Dipyrromethene Dyes.

Journal of chemical theory and computation

Chibani S, Le Guennic B, Charaf-Eddin A, Maury O, Andraud C, Jacquemin D.
PMID: 26605737
J Chem Theory Comput. 2012 Sep 11;8(9):3303-13. doi: 10.1021/ct300618j. Epub 2012 Aug 22.

We have simulated the optical properties of Aza-Boron-dipyrromethene (Aza-BODIPY) dyes and, more precisely, the 0-0 energies as well as the shape of both absorption and fluorescence bands, thanks to the computation of vibronic couplings. To this end, time-dependent density...

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Chibani S, Le Guennic B, Charaf-Eddin A, et al. On the Computation of Adiabatic Energies in Aza-Boron-Dipyrromethene Dyes. J Chem Theory Comput. 2012;8(9):3303-13doi: 10.1021/ct300618j.
Chibani, S., Le Guennic, B., Charaf-Eddin, A., Maury, O., Andraud, C., & Jacquemin, D. (2012). On the Computation of Adiabatic Energies in Aza-Boron-Dipyrromethene Dyes. Journal of chemical theory and computation, 8(9), 3303-13. https://doi.org/10.1021/ct300618j
Chibani, Siwar, et al. "On the Computation of Adiabatic Energies in Aza-Boron-Dipyrromethene Dyes." Journal of chemical theory and computation vol. 8,9 (2012): 3303-13. doi: https://doi.org/10.1021/ct300618j
Chibani S, Le Guennic B, Charaf-Eddin A, Maury O, Andraud C, Jacquemin D. On the Computation of Adiabatic Energies in Aza-Boron-Dipyrromethene Dyes. J Chem Theory Comput. 2012 Sep 11;8(9):3303-13. doi: 10.1021/ct300618j. Epub 2012 Aug 22. PMID: 26605737.
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Zwitterionic [4]helicene: a water-soluble and reversible pH-triggered ECD/CPL chiroptical switch in the UV and red spectral regions.

Organic & biomolecular chemistry

Pascal S, Besnard C, Zinna F, Di Bari L, Le Guennic B, Jacquemin D, Lacour J.
PMID: 27139039
Org Biomol Chem. 2016 May 18;14(20):4590-4. doi: 10.1039/c6ob00752j.

The chiroptical switching properties of a readily accessible and water-soluble diaza [4]helicene are disclosed. This zwitterionic dye displays pH-dependent absorption and emission properties and this enables a reversible turn on/off of electronic circular dichroism at 300 nm and of...

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Pascal S, Besnard C, Zinna F, et al. Zwitterionic [4]helicene: a water-soluble and reversible pH-triggered ECD/CPL chiroptical switch in the UV and red spectral regions. Org Biomol Chem. 2016;14(20):4590-4doi: 10.1039/c6ob00752j.
Pascal, S., Besnard, C., Zinna, F., Di Bari, L., Le Guennic, B., Jacquemin, D., & Lacour, J. (2016). Zwitterionic [4]helicene: a water-soluble and reversible pH-triggered ECD/CPL chiroptical switch in the UV and red spectral regions. Organic & biomolecular chemistry, 14(20), 4590-4. https://doi.org/10.1039/c6ob00752j
Pascal, Simon, et al. "Zwitterionic [4]helicene: a water-soluble and reversible pH-triggered ECD/CPL chiroptical switch in the UV and red spectral regions." Organic & biomolecular chemistry vol. 14,20 (2016): 4590-4. doi: https://doi.org/10.1039/c6ob00752j
Pascal S, Besnard C, Zinna F, Di Bari L, Le Guennic B, Jacquemin D, Lacour J. Zwitterionic [4]helicene: a water-soluble and reversible pH-triggered ECD/CPL chiroptical switch in the UV and red spectral regions. Org Biomol Chem. 2016 May 18;14(20):4590-4. doi: 10.1039/c6ob00752j. PMID: 27139039.
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Showing 1 to 12 of 548 entries