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Conformational Analysisof Quinine and Its PseudoEnantiomer Quinidine: A Combined Jet-Cooled Spectroscopy and VibrationalCircular Dichroism Study.

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Title: Conformational Analysisof Quinine and Its PseudoEnantiomer Quinidine: A Combined Jet-Cooled Spectroscopy and VibrationalCircular Dichroism Study.
Authors: Sen, Ananya1, Bouchet, Aude1, Lepère, Valeria1, Le Barbu-Debus, Katia1, Scuderi, D.1, Piuzzi, F.1, Zehnacker-Rentien, A.1
Source: Journal of Physical Chemistry A. Aug2012, Vol. 116 Issue 32, p8334-8344. 11p.
Subjects: Quinine, Enantiomers, Quinidine, Vibrational circular dichroism, Conformational analysis, Laser spectroscopy
Abstract: Laser-desorbed quinine and quinidine have been studiedin the gasphase by combining supersonic expansion with laser spectroscopy, namely,laser-induced fluorescence (LIF), resonance-enhanced multiphoton ionization(REMPI), and IR-UV double resonance experiments. Density funtionaltheory (DFT) calculations have been done in conjunction with the experimentalwork. The first electronic transition of quinine and quinidine isof π–π* nature, and the studied molecules weaklyfluoresce in the gas phase, in contrast to what was observed in solution(Qin, W. W.; et al. J. Phys. Chem. C2009, 113, 11790). The two pseudo enantiomers quinineand quinidine show limited differences in the gas phase; their mainconformation is of open type as it is in solution. However, vibrationalcircular dichroism (VCD) experiments in solution show that additionalconformers exist in condensed phase for quinidine, which are not observedfor quinine. This difference in behavior between the two pseudo enantiomersis discussed. [ABSTRACT FROM AUTHOR]
Copyright of Journal of Physical Chemistry A is the property of American Chemical Society and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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  Data: Conformational Analysisof Quinine and Its PseudoEnantiomer Quinidine: A Combined Jet-Cooled Spectroscopy and VibrationalCircular Dichroism Study.
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Physical+Chemistry+A%22">Journal of Physical Chemistry A</searchLink>. Aug2012, Vol. 116 Issue 32, p8334-8344. 11p.
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  Data: <searchLink fieldCode="DE" term="%22Quinine%22">Quinine</searchLink><br /><searchLink fieldCode="DE" term="%22Enantiomers%22">Enantiomers</searchLink><br /><searchLink fieldCode="DE" term="%22Quinidine%22">Quinidine</searchLink><br /><searchLink fieldCode="DE" term="%22Vibrational+circular+dichroism%22">Vibrational circular dichroism</searchLink><br /><searchLink fieldCode="DE" term="%22Conformational+analysis%22">Conformational analysis</searchLink><br /><searchLink fieldCode="DE" term="%22Laser+spectroscopy%22">Laser spectroscopy</searchLink>
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  Data: Laser-desorbed quinine and quinidine have been studiedin the gasphase by combining supersonic expansion with laser spectroscopy, namely,laser-induced fluorescence (LIF), resonance-enhanced multiphoton ionization(REMPI), and IR-UV double resonance experiments. Density funtionaltheory (DFT) calculations have been done in conjunction with the experimentalwork. The first electronic transition of quinine and quinidine isof π–π* nature, and the studied molecules weaklyfluoresce in the gas phase, in contrast to what was observed in solution(Qin, W. W.; et al. J. Phys. Chem. C2009, 113, 11790). The two pseudo enantiomers quinineand quinidine show limited differences in the gas phase; their mainconformation is of open type as it is in solution. However, vibrationalcircular dichroism (VCD) experiments in solution show that additionalconformers exist in condensed phase for quinidine, which are not observedfor quinine. This difference in behavior between the two pseudo enantiomersis discussed. [ABSTRACT FROM AUTHOR]
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  Data: <i>Copyright of Journal of Physical Chemistry A is the property of American Chemical Society and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1021/jp3047888
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      – Code: eng
        Text: English
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        PageCount: 11
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    Subjects:
      – SubjectFull: Quinine
        Type: general
      – SubjectFull: Enantiomers
        Type: general
      – SubjectFull: Quinidine
        Type: general
      – SubjectFull: Vibrational circular dichroism
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      – SubjectFull: Conformational analysis
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      – SubjectFull: Laser spectroscopy
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      – TitleFull: Conformational Analysisof Quinine and Its PseudoEnantiomer Quinidine: A Combined Jet-Cooled Spectroscopy and VibrationalCircular Dichroism Study.
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              Text: Aug2012
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