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Floppy molecules—their internal dynamics, spectroscopy and applications

  • Iwona Gulaczyk ORCID logo EMAIL logo and Marek Kręglewski
Published/Copyright: February 8, 2021
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Physical Sciences Reviews
From the journal Physical Sciences Reviews Volume 8 Issue 2

Abstract

Floppy molecules can be defined as molecules performing large amplitude vibrations (LAVs). There are different types of LAVs among which the most common are inversion and internal rotation. Molecules with LAVs have been of great interest for a very long time since their dynamic, geometry and molecular spectra were very often considered as a challenge. In the review, we present an outline of the history and development of various theoretical approaches concerning molecules with LAVs. Different types of LAVs are described with the emphasis on inversion tunneling (wagging) and internal rotation (torsion). Furthermore, strategies for building explicit and effective Hamiltonians are given and explained in detail using a hydrazine molecule, which is an exemplary molecule performing three LAVs—two inversions and one internal rotation. Since floppy molecules play a significant role in numerous areas as chemistry, pharmacy, astrophysics, biology, agriculture etc., we also provide an overview of their applications.

Keywords: a hydrazine molecule; effective Hamiltonian; explicit Hamiltonian; high resolution spectroscopy; large amplitude vibrations
Corresponding author: Iwona Gulaczyk, Faculty of Chemistry, Adam Mickiewicz University in Poznań, Uniwersytetu Poznańskiego 8, 61-614 Poznań, Poland, E-mail:

  1. Author contribution: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission

  2. Research funding: None declared.

  3. Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

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Published Online: 2021-02-08

© 2020 Walter de Gruyter GmbH, Berlin/Boston

Articles in the same Issue

  1. Frontmatter
  2. Review
  3. Changes in porphyrin’s conjugation based on synthetic and post-synthetic modifications
  4. Magnetic Hybrid-Materials (Odenbach)
  5. Magnetic particle imaging of particle dynamics in complex matrix systems
  6. Reviews
  7. Computational studies on statins photoactivity
  8. Floppy molecules—their internal dynamics, spectroscopy and applications
  9. Processes and problems of pulp and paper industry: an overview
  10. Present trends in the encapsulation of anticancer drugs
https://doi.org/10.1515/psr-2020-0035
Keywords for this article
a hydrazine molecule; effective Hamiltonian; explicit Hamiltonian; high resolution spectroscopy; large amplitude vibrations

Articles in the same Issue

  1. Frontmatter
  2. Review
  3. Changes in porphyrin’s conjugation based on synthetic and post-synthetic modifications
  4. Magnetic Hybrid-Materials (Odenbach)
  5. Magnetic particle imaging of particle dynamics in complex matrix systems
  6. Reviews
  7. Computational studies on statins photoactivity
  8. Floppy molecules—their internal dynamics, spectroscopy and applications
  9. Processes and problems of pulp and paper industry: an overview
  10. Present trends in the encapsulation of anticancer drugs
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