Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

Two contact-point chiral distinction: model CHFClBr dimers.

Sarit Garten1, P Ulrich Biedermann, Israel Agranat

  • 1Department of Organic Chemistry, The Hebrew University of Jerusalem, Jerusalem, Israel.

Chirality
|April 26, 2005
PubMed
Summary

Chiral distinction occurs in CHFClBr dimers, where interactions between nearest atoms drive stabilization energy, but distal atoms influence the degree of chiral recognition. This effect doesn't correlate with stabilization energy.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Drug law versus common parlance of medicinal chemists on "new chemical entity" of novel drug designations.

Medicinal chemistry research : an international journal for rapid communications on design and mechanisms of action of biologically active agents·2026
Same author

Perspectives of Patents in Academic and Industrial Collaborations in Drug Discovery.

ACS medicinal chemistry letters·2026
Same author

Consecutive double chiral-switches strategy. ADHD methylphenidate drugs: from two racemates via racemate to enantiomer.

Future medicinal chemistry·2025
Same author

The Importance of Correct New Drug Designations: New "Novel Drug Entity" Designations.

ACS medicinal chemistry letters·2025
Same author

Racemic drugs are not necessarily less efficacious and less safe than their single-enantiomer components.

European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences·2025
Same author

Erratum: Addition to "The Death of the Strategy of Classical Chiral Switches Is an Exaggeration".

ACS medicinal chemistry letters·2025

Area of Science:

  • Computational Chemistry
  • Molecular Interactions
  • Chirality Studies

Background:

  • Simple chiral molecules like CHFClBr are fundamental building blocks in chemistry.
  • Understanding intermolecular interactions in chiral systems is crucial for molecular recognition.
  • Previous studies on chiral dimers provide a basis for investigating specific interaction models.

Purpose of the Study:

  • To investigate chiral distinction in dimers of CHFClBr.
  • To analyze the influence of different computational methods and basis sets on dimer properties.
  • To explore the relationship between stabilization energies and the degree of chiral distinction in specific dimer configurations.

Main Methods:

  • Utilized computational approaches: Hartree-Fock (HF), Møller-Plesset perturbation theory (MP2), and Density Functional Theory (DFT) with B3LYP functional.

Related Experiment Videos

  • Employed various basis sets: 6-31G*, 6-31++G**, and 6-311++G**.
  • Studied both heterochiral and homochiral dimers in edge-to-edge (2:2e) orientations with monomers constrained to tetrahedral symmetry.

    • Main Results:

    • Demonstrated the occurrence of chiral distinction in the studied two contact-point dimer models.
    • Identified that stabilization energies are primarily determined by nearest-atom interactions (contacts).
    • Found that the degree of chiral distinction is influenced by the profile of changing atoms, particularly distal atoms, and does not correlate with stabilization energies.

    Conclusions:

    • Chiral distinction is observable in simplified models of CHFClBr dimers.
    • The interplay between local (contact) and non-local (distal atom) interactions dictates chiral recognition.
    • Stabilization energy alone is an insufficient predictor of the extent of chiral distinction in these systems.