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Abstract <p>139 crystallographically nonequivalent adipate ions exhibit eight topologically different types of coordination to <i>f</i>-metal atoms in the crystal structures. Unlike other aliphatic dicarboxylate ions, all types of coordination of adipate ions lead to the formation of only four-membered chelate rings. A new method for quantitatively assessing the conformation of chains containing six carbon atoms linked by single C–C bonds was tested using adipate ions as an example. In known structures, adipate ions realize six different conformations, each of which corresponds to a certain “double” symbol: φ<sup>3</sup>/φ<sup>3</sup>, φ<sup>1</sup>/φ<sup>3</sup>, φ<sup>1</sup>/φ<sup>1</sup>, φ<sup>2</sup>/φ<sup>3</sup>, φ<sup>1</sup>/φ<sup>2</sup>, or φ<sup>2</sup>/φ<sup>2</sup>. Most often (≈97% of cases), energetically more favorable combinations of odd transoid φ<sup>3</sup> and/or skewed φ<sup>1</sup> conformations are realized.</p>

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Conformations and Coordination Types of Adipate Ions in the Structures of f-Metal Complexes

  • 期刊论文

  • 发表日期：

    2025年8月1日

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  • V. N. Serezhkin,
  • S. V. Kondrashkin,
  • A. A. Gnedov,
  • D. V. Pushkin,
  • L. B. Serezhkina

摘要

Abstract

139 crystallographically nonequivalent adipate ions exhibit eight topologically different types of coordination to f-metal atoms in the crystal structures. Unlike other aliphatic dicarboxylate ions, all types of coordination of adipate ions lead to the formation of only four-membered chelate rings. A new method for quantitatively assessing the conformation of chains containing six carbon atoms linked by single C–C bonds was tested using adipate ions as an example. In known structures, adipate ions realize six different conformations, each of which corresponds to a certain “double” symbol: φ3/φ3, φ1/φ3, φ1/φ1, φ2/φ3, φ1/φ2, or φ2/φ2. Most often (≈97% of cases), energetically more favorable combinations of odd transoid φ3 and/or skewed φ1 conformations are realized.