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Related Experiment Videos

Conformations of cycloundecane.

Diwakar M Pawar1, Judge Brown, Kuo-Hsiang Chen

  • 1Department of Chemistry, Jackson State University, Jackson, Mississippi 39217-0510, USA.

The Journal of Organic Chemistry
|August 12, 2006
PubMed
Summary
This summary is machine-generated.

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Cycloundecane exists as a mix of two conformations, [12323] and [335], at low temperatures. This conformational analysis was determined using carbon-13 NMR spectroscopy.

Area of Science:

  • Organic Chemistry
  • Physical Chemistry
  • Molecular Spectroscopy

Background:

  • Cyclic alkanes exhibit complex conformational dynamics.
  • Understanding the conformational landscape of medium-sized rings is crucial for predicting chemical properties.

Purpose of the Study:

  • To investigate the low-temperature conformations of cycloundecane.
  • To quantify the populations of different cycloundecane conformers.

Main Methods:

  • Carbon-13 Nuclear Magnetic Resonance (13C NMR) spectroscopy at -183.1 °C.
  • Computational chemistry methods including free energy and chemical shift calculations.
  • Analysis of existing literature, including X-ray diffraction data.

Main Results:

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  • Cycloundecane exists as a mixture of the [12323] (approx. 59%) and [335] (approx. 41%) conformations at -183.1 °C.
  • Conformational assignments were supported by spectral data, computational predictions, and literature precedents.

Conclusions:

  • The study elucidates the predominant low-temperature conformational states of cycloundecane.
  • NMR spectroscopy combined with computational methods provides robust insights into molecular conformation.