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Transition state analysis

Bent out of shape

Reactants require a certain amount of energy to react — but what kind of energy? Chemical dynamics simulations predict that vibrationally exciting reactants can promote 1,3-dipolar cycloaddition reactions by bending them into the correct transition state shape.

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Figure 1: Representation of a 1,3-dipolar cycloaddition reaction.

References

  1. Chapman, S. & Bunker, D. L. J. Chem. Phys. 62, 2890–2899 (1975).

    Article  CAS  Google Scholar 

  2. Liu, J., Song, K., Hase, W. L. & Anderson, S. L. J. Am. Chem. Soc. 126, 8602–8603 (2004).

    Article  CAS  PubMed  Google Scholar 

  3. Yan, S., Wu, Y.-T., Zhang, B., Yue, X.-F. & Liu, K. Science 316, 1723–1726 (2007).

    Article  CAS  PubMed  Google Scholar 

  4. Xu, L., Doubleday, C. E. & Houk, K. N. Angew. Chem. Int. Ed. 48, 2746–2748 (2009).

    Article  CAS  Google Scholar 

  5. Lourderaj, U., Park, K. & Hase, W. L. Int. Rev. Phys. Chem. 27, 361–403 (2008).

    Article  CAS  Google Scholar 

  6. Hase, W. L., Song, K. & Gordon, M. Comput. Sci. Eng. 5, 36–44 (2003).

    Article  CAS  Google Scholar 

  7. Crim, F. Proc. Natl Acad. Sci. USA 105, 12654–12661 (2008).

    Article  CAS  PubMed  Google Scholar 

Download references

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Barnes, G., Hase, W. Bent out of shape. Nature Chem 1, 103–104 (2009). https://doi.org/10.1038/nchem.193

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