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

Hypothetical binodal zeolitic frameworks.

Alexandra Simperler1, Martin D Foster, Olaf Delgado Friedrichs

  • 1Davy-Faraday Research Laboratory, The Royal Institution of Great Britain, 21 Albemarle Street, London W1S 4BS, England.

Acta Crystallographica. Section B, Structural Science
|May 26, 2005
PubMed
Summary

Researchers enumerated hypothetical binodal zeolitic structures using tiling theory. Computational chemistry revealed 98 new topologies, with feasibility assessed for potential new zeolite materials.

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

Insight into the reactivity and antitumoral potential of allyl rhodanine derivatives: Azomethine ylide cycloadditions, molecular docking, and SAR studies.

Bioorganic chemistry·2026
Same author

Phosphonates as Modulators of Brain Chemistry.

Medicinal research reviews·2026
Same author

Divergent Reactivity of Diketopyrrolopyrroles: Ring-Opening with Amines.

Organic letters·2026
Same author

Oxidant-Dependent Switch of a Molybdenum(VI) Tetrazolate Complex from a Homogeneous to a Self-Separating Catalyst for Olefin Epoxidation.

Industrial & engineering chemistry research·2026
Same author

Host-Guest Complexes of Cyclopentadienyl Iron Dicarbonyl (CpFe(CO)<sub>2</sub>) CO-Releasing Molecules with Cucurbit[7]uril.

Organometallics·2026
Same author

Glioblastoma antitumoral activity of tetrahydroquinoline-derived triarylmethanes.

RSC medicinal chemistry·2025

Area of Science:

  • Materials Science
  • Computational Chemistry
  • Crystallography

Background:

  • Zeolites are crystalline aluminosilicates with diverse industrial applications.
  • Zeolitic structures are defined by their framework topologies, characterized by tetrahedral sites.
  • Discovering novel topologies is crucial for advancing zeolite-based materials.

Purpose of the Study:

  • To systematically enumerate hypothetical binodal zeolitic structures.
  • To characterize these structures using computational chemistry.
  • To evaluate their potential feasibility as novel zeolite materials.

Main Methods:

  • Enumeration of topologies using tiling theory.
  • Conversion of topologies into silica polymorphs.
  • Energy minimization and structural parameter calculation using GULP and Sanders-Catlow potential.

Related Experiment Videos

  • Feasibility assessment using a derived feasibility factor.

    • Main Results:

    • 109 refineable topologies based on simple tilings were enumerated.
    • 11 known binodal topologies and 98 previously unknown topologies were identified.
    • Feasibility factors were calculated, with many feasible structures exhibiting small pores.
    • Several highly open structures with three-membered rings were identified.

    Conclusions:

    • A significant number of novel binodal zeolitic topologies have been identified.
    • The feasibility analysis provides insights into potential new zeolite materials.
    • The identified open structures may be realizable with alternative elemental compositions.