# Lithium and sodium 3-(3,4-di-hydroxy-phen-yl)propenoate hydrate.
> カフェ酸のリチウム塩およびナトリウム塩水和物の結晶構造解析


## Abstract

Caffeic acid (3,4-dihydroxycinnamic acid) was reacted with lithium and sodium hydroxides in aqueous solution to yield crystalline polymeric hydrate salts. In the lithium compound, each Li cation adopts a near-tetrahedral geometry coordinated by three carboxylate oxygen atoms and one water molecule; the carboxylate groups bridge Li centers in a chain-like arrangement along one crystallographic axis, with additional hydrogen bonding between coordinated water and catechol hydroxyl groups. In the sodium compound, the Na cation is sevenfold-coordinated by one water molecule, two monodentate carboxylate groups, and four catechol oxygen atoms. Face- and edge-sharing of coordination polyhedra generates chains that are further interconnected through bridging propenoate ligands and intermolecular hydrogen bonds, producing a three-dimensional network structure.

## Bibliographic

- **Authors**: Bieler I, Wagner C, Merzweiler K
- **Journal**: Acta Crystallogr E Crystallogr Commun
- **Year**: 2024 (2024-03-01)
- **PMID**: [38584729](https://pubmed.ncbi.nlm.nih.gov/38584729/)
- **DOI**: [10.1107/S2056989024002494](https://doi.org/10.1107/S2056989024002494)
- **PMC**: [PMC10993602](https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10993602/)
- **Study type**: other
- **Delivery route**: not specified
- **Effect reported**: not assessed

## Delivery context

The delivery route is not clearly identifiable from this paper. For hydrogen intake, inhalation is the most efficient route; inhalation, however, carries explosion risk (empirical LFL of 10%; high-concentration devices are not recommended).

## Safety notes

The delivery route is not clearly identifiable from this paper. For hydrogen intake, inhalation is the most efficient route; inhalation, however, carries explosion risk (empirical LFL of 10%; high-concentration devices are not recommended).

See also:
- [Inhalation concentration and LFL / UFL](https://h2-papers.org/en/safety-notes/inhalation-concentration)
- [Consumer Affairs Agency accident cases](https://h2-papers.org/en/safety-notes/accident-cases)

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> **Cite as**: H2 Papers — PMID 38584729. https://h2-papers.org/en/papers/38584729
> **Source**: PubMed PMID [38584729](https://pubmed.ncbi.nlm.nih.gov/38584729/)