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Related Experiment Videos

New bond-valence parameters for lanthanides.

Agata Trzesowska1, Rafal Kruszynski, Tadeusz J Bartczak

  • 1Department of X-ray Crystallography and Crystal Chemistry, Institute of General and Ecological Chemistry, Łódź University of Technology, 90-924 Łódź, Poland. agatat@p.lodz.pl

Acta Crystallographica. Section B, Structural Science
|March 16, 2004
PubMed
Summary
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The bond-valence method helps verify trivalent lanthanide structures. New bond-valence parameters (Rij) were computed, showing they decrease with increasing lanthanide atomic number in metal-organic compounds.

Area of Science:

  • Crystallography
  • Inorganic Chemistry
  • Materials Science

Background:

  • The bond-valence method, particularly the valence-sum rule, is a critical tool for validating crystal structures.
  • Trivalent lanthanides form diverse structures requiring reliable validation methods.

Purpose of the Study:

  • To compute bond-valence parameters (Rij) for lanthanide-containing compounds.
  • To investigate the relationship between Rij values, lanthanide atomic number, and compound type (metal-organic vs. inorganic).
  • To present a correlation between lanthanide-oxygen distances and coordination numbers.

Main Methods:

  • Utilized the Cambridge Structural Database (Version 5.24) to extract bond length and valence data.
  • Calculated bond-valence parameters (Rij) based on established bond-valence methodologies.

Related Experiment Videos

  • Analyzed trends in Rij values concerning lanthanide atomic number and chemical environment.

    • Main Results:

    • Computed Rij values for numerous lanthanide bonds.
    • Observed a decrease in calculated Rij values with increasing lanthanide atomic number for metal-organic compounds.
    • Found that Rij values for metal-organic compounds are generally smaller than those for inorganic compounds.
    • Presented a summary of bond-valence sums and a functional correlation between lanthanide-oxygen distances and coordination number.

    Conclusions:

    • The computed bond-valence parameters provide a refined tool for assessing the accuracy of trivalent lanthanide structures.
    • The observed trends in Rij values offer insights into the bonding characteristics of lanthanides in different chemical environments.
    • The established correlation aids in predicting and understanding lanthanide coordination in various compounds.