ArticleRSC advances2022
The eight structures of caffeic acid: a jet-cooled laser ablated rotational study.
Article in RSC advances, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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2 citing papers in PubMed, 0 citations in OpenAlex.
- Comparative Experimental Raman, DFT, and Chemometric Characterization of Selected Phenolic Acids: Structural and Environmental Contributions to the Vibrational Response.Molecules (Basel, Switzerland) · 2026Article
- Assessing the Limits of the "Lego-Brick" Approach: Equilibrium Structures of Strained and Flexible Cyclic Molecules.The journal of physical chemistry. A · 2026Article
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Authors and funding
6 authors at 1 institution in 1 country.
Funding
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Abstract
This work reports a complete conformational analysis of caffeic acid, an exceptionally versatile pharmacophore, using laser ablation chirped-pulse Fourier transform microwave spectroscopy. The whole conformational space consisting of eight distinct species has been fully deciphered based on the trend of the rotational constants supported by theoretical computations. We show how rotational spectroscopy can be confidently used to distinguish between conformers even when the structural differences are minimal, such as those involved in the conformational panorama of caffeic acid. Additionally, the structural information here provided, such as the planarity observed in all the conformers, could help to elucidate the mechanisms underlying the biological and pharmacological activity of hydroxycinnamic acids.
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