5. CD Spectra of Chiral Extended π-Electron Compounds: Theoretical Determination of the Absolute Stereochemistry and Experimental Verification

  1. Nina Berova3,
  2. Prasad L. Polavarapu4,
  3. Koji Nakanishi3 and
  4. Robert W. Woody5
  1. Nobuyuki Harada1 and
  2. Shunsuke Kuwahara2

Published Online: 17 FEB 2012

DOI: 10.1002/9781118120392.ch5

Comprehensive Chiroptical Spectroscopy: Applications in Stereochemical Analysis of Synthetic Compounds, Natural Products, and Biomolecules, Volume 2

Comprehensive Chiroptical Spectroscopy: Applications in Stereochemical Analysis of Synthetic Compounds, Natural Products, and Biomolecules, Volume 2

How to Cite

Harada, N. and Kuwahara, S. (2012) CD Spectra of Chiral Extended π-Electron Compounds: Theoretical Determination of the Absolute Stereochemistry and Experimental Verification, in Comprehensive Chiroptical Spectroscopy: Applications in Stereochemical Analysis of Synthetic Compounds, Natural Products, and Biomolecules, Volume 2 (eds N. Berova, P. L. Polavarapu, K. Nakanishi and R. W. Woody), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9781118120392.ch5

Editor Information

  1. 3

    Department of Chemistry, Columbia University, New York, New York, USA

  2. 4

    Department of Chemistry, Vanderbilt University, Nashville, Tennessee, USA

  3. 5

    Department of Biochemistry and Molecular Biology, Colorado State University, Fort Collins, Colorado, USA

Author Information

  1. 1

    Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai, Japan

  2. 2

    Department of Chemistry, Toho University, Funabashi, Japan

Publication History

  1. Published Online: 17 FEB 2012
  2. Published Print: 24 FEB 2012

ISBN Information

Print ISBN: 9781118012925

Online ISBN: 9781118120392

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Keywords:

  • CD spectra, chiral extended π-electron;
  • CD ECM “exciton chirality”;
  • CD ECM application

Summary

This chapter contains sections titled:

  • Introduction

  • Theoretical Calculation of CD and UV Spectra by the π-Electron SCF-CI-DV MO Method

  • Some Established Examples of the π-Electron SCF-CI-DV MO Method

  • CD Spectra and Absolute Stereostructures of Unique Chiral Olefins: Discovery and Development of Light-Powered Molecular Motors

  • A New Model of Light-Powered Chiral Molecular Motor with Higher Speed of Rotation

  • Absolute Configuration of Chiral C60-Fullerene CIS-3 Bisadducts Determined by X-Ray Crystallography and CD Spectroscopy

  • Absolute Stereochemistry and CD Spectra of an Alleno-Acetylenic Macrocycle

  • Conclusion

  • Acknowledgments

  • References