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Lookup NU author(s): Professor William Clegg, Gary Nichol
This work is licensed under a Creative Commons Attribution 4.0 International License (CC BY 4.0).
A systematic study has been conducted on barbiturate complexes of all five alkali metals, Li–Cs, prepared from metal carbonates or hydroxides in an aqueous solution without other potential ligands present, varying the stoichiometric ratio of metal ion to barbituric acid (BAH). Eight polymeric coordination compounds (two each for Na, K, and Rb and one each for Li and Cs) have been characterised by single-crystal X-ray diffraction. All contain some combination of barbiturate anion BA− (necessarily in a 1:1 ratio with the metal cation M+ ), barbituric acid, and water. All organic species and water molecules are coordinated to the metal centres via oxygen atoms as either terminal or bridging ligands. Coordination numbers range from 4 (for the Li complex) to 8 (for the Cs complex). Extensive hydrogen bonding plays a significant role in all the crystal structures, almost all of which include pairs of N–H···O hydrogen bonds linking BA− and/or BAH components into ribbons extending in one dimension. Factors influencing the structure adopted by each compound include cation size and reaction stoichiometry as well as hydrogen bonding.
Author(s): Clegg W, Nichol GS
Publication type: Article
Publication status: Published
Journal: Molecules
Year: 2024
Volume: 29
Issue: 7
Online publication date: 27/03/2024
Acceptance date: 25/03/2024
Date deposited: 29/03/2024
ISSN (electronic): 1420-3049
Publisher: MDPI
URL: https://doi.org/10.3390/molecules29071495
DOI: 10.3390/molecules29071495
Data Access Statement: Processed X-ray diffraction data are available as part of the information deposited at the Cambridge Crystallographic Data Centre. These may also be obtained from the author (W.C.) on request.
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