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Philip N Ross - One of the best experts on this subject based on the ideXlab platform.
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lithium ethylene dicarbonate identified as the primary product of chemical and electrochemical reduction of ec in 1 2 m lipf6 ec emc electrolyte
Journal of Physical Chemistry B, 2005Co-Authors: Guorong V Zhuang, Hui Yang, Richard T Jow, Philip N RossAbstract:Lithium ethylene dicarbonate ((CH2OCO2Li)2) was chemically synthesized and its Fourier transform infrared (FTIR) Spectrum was obtained and compared with that of surface films formed on Ni after cyclic voltammetry (CV) in 1.2 M lithium hexafluorophosphate (LiPF6)/ethylene carbonate (EC):ethyl methyl carbonate (EMC) (3:7, w/w) electrolyte and on metallic lithium cleaved in-situ in the same electrolyte. By comparison of IR experimental spectra with that of the synthesized compound, we established that the title compound is the predominant surface species in both instances. Detailed analysis of the IR Spectrum utilizing quantum chemical (Hartree-Fock) calculations indicates that intermolecular association through O...Li...O interactions is very important in this compound. It is likely that the title compound in the passivation layer has a highly associated structure, but the exact intermolecular conformation could not be established on the basis of analysis of the IR Spectrum.
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lithium ethylene dicarbonate identified as the primary product of chemical and electrochemical reduction of ec in 1 2 m lipf6 ec emc electrolyte
Journal of Physical Chemistry B, 2005Co-Authors: Guorong V Zhuang, Kang Xu, Hui Yang, Philip N RossAbstract:Lithium ethylene dicarbonate (CH2OCO2Li)2 was chemically synthesized and its Fourier Transform Infrared (FTIR) Spectrum was obtained and compared with that of surface films formed on Ni after cyclic voltammetry (CV) in 1.2M lithium hexafluorophosphate(LiPF6)/ethylene carbonate (EC): ethyl methyl carbonate (EMC) (3:7, w/w) electrolyte and on metallic lithium cleaved in-situ in the same electrolyte. By comparison of IR experimental spectra with that of the synthesized compound, we established that the title compound is the predominant surface species in both instances. Detailed analysis of the IR Spectrum utilizing quantum chemical (Hartree-Fock) calculations indicates that intermolecular association through O...Li...O interactions is very important in this compound. It is likely that the title compound in passivation layer has a highly associated structure, but the exact intermolecular conformation could not be established based on analysis of the IR Spectrum.
Guorong V Zhuang - One of the best experts on this subject based on the ideXlab platform.
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lithium ethylene dicarbonate identified as the primary product of chemical and electrochemical reduction of ec in 1 2 m lipf6 ec emc electrolyte
Journal of Physical Chemistry B, 2005Co-Authors: Guorong V Zhuang, Hui Yang, Richard T Jow, Philip N RossAbstract:Lithium ethylene dicarbonate ((CH2OCO2Li)2) was chemically synthesized and its Fourier transform infrared (FTIR) Spectrum was obtained and compared with that of surface films formed on Ni after cyclic voltammetry (CV) in 1.2 M lithium hexafluorophosphate (LiPF6)/ethylene carbonate (EC):ethyl methyl carbonate (EMC) (3:7, w/w) electrolyte and on metallic lithium cleaved in-situ in the same electrolyte. By comparison of IR experimental spectra with that of the synthesized compound, we established that the title compound is the predominant surface species in both instances. Detailed analysis of the IR Spectrum utilizing quantum chemical (Hartree-Fock) calculations indicates that intermolecular association through O...Li...O interactions is very important in this compound. It is likely that the title compound in the passivation layer has a highly associated structure, but the exact intermolecular conformation could not be established on the basis of analysis of the IR Spectrum.
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lithium ethylene dicarbonate identified as the primary product of chemical and electrochemical reduction of ec in 1 2 m lipf6 ec emc electrolyte
Journal of Physical Chemistry B, 2005Co-Authors: Guorong V Zhuang, Kang Xu, Hui Yang, Philip N RossAbstract:Lithium ethylene dicarbonate (CH2OCO2Li)2 was chemically synthesized and its Fourier Transform Infrared (FTIR) Spectrum was obtained and compared with that of surface films formed on Ni after cyclic voltammetry (CV) in 1.2M lithium hexafluorophosphate(LiPF6)/ethylene carbonate (EC): ethyl methyl carbonate (EMC) (3:7, w/w) electrolyte and on metallic lithium cleaved in-situ in the same electrolyte. By comparison of IR experimental spectra with that of the synthesized compound, we established that the title compound is the predominant surface species in both instances. Detailed analysis of the IR Spectrum utilizing quantum chemical (Hartree-Fock) calculations indicates that intermolecular association through O...Li...O interactions is very important in this compound. It is likely that the title compound in passivation layer has a highly associated structure, but the exact intermolecular conformation could not be established based on analysis of the IR Spectrum.
Hui Yang - One of the best experts on this subject based on the ideXlab platform.
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lithium ethylene dicarbonate identified as the primary product of chemical and electrochemical reduction of ec in 1 2 m lipf6 ec emc electrolyte
Journal of Physical Chemistry B, 2005Co-Authors: Guorong V Zhuang, Hui Yang, Richard T Jow, Philip N RossAbstract:Lithium ethylene dicarbonate ((CH2OCO2Li)2) was chemically synthesized and its Fourier transform infrared (FTIR) Spectrum was obtained and compared with that of surface films formed on Ni after cyclic voltammetry (CV) in 1.2 M lithium hexafluorophosphate (LiPF6)/ethylene carbonate (EC):ethyl methyl carbonate (EMC) (3:7, w/w) electrolyte and on metallic lithium cleaved in-situ in the same electrolyte. By comparison of IR experimental spectra with that of the synthesized compound, we established that the title compound is the predominant surface species in both instances. Detailed analysis of the IR Spectrum utilizing quantum chemical (Hartree-Fock) calculations indicates that intermolecular association through O...Li...O interactions is very important in this compound. It is likely that the title compound in the passivation layer has a highly associated structure, but the exact intermolecular conformation could not be established on the basis of analysis of the IR Spectrum.
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lithium ethylene dicarbonate identified as the primary product of chemical and electrochemical reduction of ec in 1 2 m lipf6 ec emc electrolyte
Journal of Physical Chemistry B, 2005Co-Authors: Guorong V Zhuang, Kang Xu, Hui Yang, Philip N RossAbstract:Lithium ethylene dicarbonate (CH2OCO2Li)2 was chemically synthesized and its Fourier Transform Infrared (FTIR) Spectrum was obtained and compared with that of surface films formed on Ni after cyclic voltammetry (CV) in 1.2M lithium hexafluorophosphate(LiPF6)/ethylene carbonate (EC): ethyl methyl carbonate (EMC) (3:7, w/w) electrolyte and on metallic lithium cleaved in-situ in the same electrolyte. By comparison of IR experimental spectra with that of the synthesized compound, we established that the title compound is the predominant surface species in both instances. Detailed analysis of the IR Spectrum utilizing quantum chemical (Hartree-Fock) calculations indicates that intermolecular association through O...Li...O interactions is very important in this compound. It is likely that the title compound in passivation layer has a highly associated structure, but the exact intermolecular conformation could not be established based on analysis of the IR Spectrum.
Christian Hoppmann - One of the best experts on this subject based on the ideXlab platform.
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light switchable hemithioindigo hemistilbene containing peptides ultrafast spectroscopy of the z e isomerization of the chromophore and the structural dynamics of the peptide moiety
Journal of Physical Chemistry B, 2012Co-Authors: Nadja Regner, Teja T Herzog, Karin Haiser, Christian Hoppmann, Michael Beyermann, Jorg Sauermann, Martin Engelhard, Thorben Cordes, K RuckbraunAbstract:Two hemithioindigo–hemistilbene (HTI) derivatives, designed to operate as structural switches in peptides, as well as two HTI peptides are characterized by ultrafast spectroscopy in the visible and the infrared. The two HTI switches follow the reaction scheme published for other HTI compounds with a picosecond excited state reaction (τ1 ≈ 6 ps) and isomerization from Z to E with τ2 = 13 and 51 ps. As compared to the isolated chromophores, the isomerization reaction is slowed down in the chromopeptides to τ2 = 24 and 69 ps. For the smaller peptide containing 6 amino acids, the structural changes of the peptide moiety observed via the IR Spectrum in the amide I band follow the isomerization of the molecular switch closely. In the larger cyclic chromopeptide, containing 20 amino acids and mimicking a β-haIRpin structure in the Z-form of the chromophore, the peptide moiety also changes its structure during isomerization of the chromophore. However, the IR Spectrum at the end of the observation period of 3 ns ...
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Light-Switchable Hemithioindigo–Hemistilbene-Containing Peptides: Ultrafast Spectroscopy of the Z → E Isomerization of the Chromophore and the Structural Dynamics of the Peptide Moiety B
The Journal of Physical Chemistry, 2012Co-Authors: Nadja Regner, Teja T Herzog, Karin Haiser, Christian Hoppmann, Michael Beyermann, Jorg Sauermann, Martin Engelhard, Thorben Cordes, K. Rück-braun, Wolfgang ZinthAbstract:Two hemithioindigo–hemistilbene (HTI) derivatives, designed to operate as structural switches in peptides, as well as two HTI peptides are characterized by ultrafast spectroscopy in the visible and the infrared. The two HTI switches follow the reaction scheme published for other HTI compounds with a picosecond excited state reaction (τ₁ ≈ 6 ps) and isomerization from Z to E with τ₂ = 13 and 51 ps. As compared to the isolated chromophores, the isomerization reaction is slowed down in the chromopeptides to τ₂ = 24 and 69 ps. For the smaller peptide containing 6 amino acids, the structural changes of the peptide moiety observed via the IR Spectrum in the amide I band follow the isomerization of the molecular switch closely. In the larger cyclic chromopeptide, containing 20 amino acids and mimicking a β-haIRpin structure in the Z-form of the chromophore, the peptide moiety also changes its structure during isomerization of the chromophore. However, the IR Spectrum at the end of the observation period of 3 ns deviates significantly from the stationary difference Spectrum. These signatures indicate that strong additional structural changes, e.g., breaking of interchain hydrogen bonds, also occur on longer time scales.
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Light-Switchable Hemithioindigo–Hemistilbene-Containing Peptides: Ultrafast Spectroscopy of the Z → E Isomerization of the Chromophore and the Structural Dynamics of the Peptide Moiety
2012Co-Authors: Nadja Regner, Teja T Herzog, Karin Haiser, Christian Hoppmann, Michael Beyermann, Jorg Sauermann, Martin Engelhard, Thorben Cordes, K. Rück-braun, Wolfgang ZinthAbstract:Two hemithioindigo–hemistilbene (HTI) derivatives, designed to operate as structural switches in peptides, as well as two HTI peptides are characterized by ultrafast spectroscopy in the visible and the infrared. The two HTI switches follow the reaction scheme published for other HTI compounds with a picosecond excited state reaction (τ1 ≈ 6 ps) and isomerization from Z to E with τ2 = 13 and 51 ps. As compared to the isolated chromophores, the isomerization reaction is slowed down in the chromopeptides to τ2 = 24 and 69 ps. For the smaller peptide containing 6 amino acids, the structural changes of the peptide moiety observed via the IR Spectrum in the amide I band follow the isomerization of the molecular switch closely. In the larger cyclic chromopeptide, containing 20 amino acids and mimicking a β-haIRpin structure in the Z-form of the chromophore, the peptide moiety also changes its structure during isomerization of the chromophore. However, the IR Spectrum at the end of the observation period of 3 ns deviates significantly from the stationary difference Spectrum. These signatures indicate that strong additional structural changes, e.g., breaking of interchain hydrogen bonds, also occur on longer time scales
Nadja Regner - One of the best experts on this subject based on the ideXlab platform.
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light switchable hemithioindigo hemistilbene containing peptides ultrafast spectroscopy of the z e isomerization of the chromophore and the structural dynamics of the peptide moiety
Journal of Physical Chemistry B, 2012Co-Authors: Nadja Regner, Teja T Herzog, Karin Haiser, Christian Hoppmann, Michael Beyermann, Jorg Sauermann, Martin Engelhard, Thorben Cordes, K RuckbraunAbstract:Two hemithioindigo–hemistilbene (HTI) derivatives, designed to operate as structural switches in peptides, as well as two HTI peptides are characterized by ultrafast spectroscopy in the visible and the infrared. The two HTI switches follow the reaction scheme published for other HTI compounds with a picosecond excited state reaction (τ1 ≈ 6 ps) and isomerization from Z to E with τ2 = 13 and 51 ps. As compared to the isolated chromophores, the isomerization reaction is slowed down in the chromopeptides to τ2 = 24 and 69 ps. For the smaller peptide containing 6 amino acids, the structural changes of the peptide moiety observed via the IR Spectrum in the amide I band follow the isomerization of the molecular switch closely. In the larger cyclic chromopeptide, containing 20 amino acids and mimicking a β-haIRpin structure in the Z-form of the chromophore, the peptide moiety also changes its structure during isomerization of the chromophore. However, the IR Spectrum at the end of the observation period of 3 ns ...
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Light-Switchable Hemithioindigo–Hemistilbene-Containing Peptides: Ultrafast Spectroscopy of the Z → E Isomerization of the Chromophore and the Structural Dynamics of the Peptide Moiety B
The Journal of Physical Chemistry, 2012Co-Authors: Nadja Regner, Teja T Herzog, Karin Haiser, Christian Hoppmann, Michael Beyermann, Jorg Sauermann, Martin Engelhard, Thorben Cordes, K. Rück-braun, Wolfgang ZinthAbstract:Two hemithioindigo–hemistilbene (HTI) derivatives, designed to operate as structural switches in peptides, as well as two HTI peptides are characterized by ultrafast spectroscopy in the visible and the infrared. The two HTI switches follow the reaction scheme published for other HTI compounds with a picosecond excited state reaction (τ₁ ≈ 6 ps) and isomerization from Z to E with τ₂ = 13 and 51 ps. As compared to the isolated chromophores, the isomerization reaction is slowed down in the chromopeptides to τ₂ = 24 and 69 ps. For the smaller peptide containing 6 amino acids, the structural changes of the peptide moiety observed via the IR Spectrum in the amide I band follow the isomerization of the molecular switch closely. In the larger cyclic chromopeptide, containing 20 amino acids and mimicking a β-haIRpin structure in the Z-form of the chromophore, the peptide moiety also changes its structure during isomerization of the chromophore. However, the IR Spectrum at the end of the observation period of 3 ns deviates significantly from the stationary difference Spectrum. These signatures indicate that strong additional structural changes, e.g., breaking of interchain hydrogen bonds, also occur on longer time scales.
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Light-Switchable Hemithioindigo–Hemistilbene-Containing Peptides: Ultrafast Spectroscopy of the Z → E Isomerization of the Chromophore and the Structural Dynamics of the Peptide Moiety
2012Co-Authors: Nadja Regner, Teja T Herzog, Karin Haiser, Christian Hoppmann, Michael Beyermann, Jorg Sauermann, Martin Engelhard, Thorben Cordes, K. Rück-braun, Wolfgang ZinthAbstract:Two hemithioindigo–hemistilbene (HTI) derivatives, designed to operate as structural switches in peptides, as well as two HTI peptides are characterized by ultrafast spectroscopy in the visible and the infrared. The two HTI switches follow the reaction scheme published for other HTI compounds with a picosecond excited state reaction (τ1 ≈ 6 ps) and isomerization from Z to E with τ2 = 13 and 51 ps. As compared to the isolated chromophores, the isomerization reaction is slowed down in the chromopeptides to τ2 = 24 and 69 ps. For the smaller peptide containing 6 amino acids, the structural changes of the peptide moiety observed via the IR Spectrum in the amide I band follow the isomerization of the molecular switch closely. In the larger cyclic chromopeptide, containing 20 amino acids and mimicking a β-haIRpin structure in the Z-form of the chromophore, the peptide moiety also changes its structure during isomerization of the chromophore. However, the IR Spectrum at the end of the observation period of 3 ns deviates significantly from the stationary difference Spectrum. These signatures indicate that strong additional structural changes, e.g., breaking of interchain hydrogen bonds, also occur on longer time scales
