ArticleMaterials (Basel, Switzerland)2021
Formation of Citrazinic Acid Ions and Their Contribution to Optical and Magnetic Features of Carbon Nanodots: A Combined Experimental and Computational Approach.
Article in Materials (Basel, Switzerland), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed.
- Low-Temperature Formation and Photophysics of Phloroglucinol-Derived Carbonaceous Materials Under Air and Vacuum.International journal of molecular sciences · 2026Article
- Insights into tautomerism and pH effects on the photoluminescence of citric acid-derived molecular fluorophores.RSC advances · 2026Article
- Promising Molecular Architectures for Two-Photon Probes in the Diagnosis of α-Synuclein Aggregates.Molecules (Basel, Switzerland) · 2024Article
- Exploring the Impact of Nitrogen Doping on the Optical Properties of Carbon Dots Synthesized from Citric Acid.Nanomaterials (Basel, Switzerland) · 2023Article
- Carbon Nanodots from an In Silico Perspective.Chemical reviews · 2022Review
- Towards N-N-Doped Carbon Dots: A Combined Computational and Experimental Investigation.Materials (Basel, Switzerland) · 2022Article
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8 authors.
Funding
Abstract
The molecular model is one of the most appealing to explain the peculiar optical properties of Carbon nanodots (CNDs) and was proven to be successful for the bottom up synthesis, where a few molecules were recognized. Among the others, citrazinic acid is relevant for the synthesis of citric acid-based CNDs. Here we report a combined experimental and computational approach to discuss the formation of different protonated and deprotonated species of citrazinic acid and their contribution to vibrational and magnetic spectra. By computing the free energy formation in water solution, we selected the most favoured species and we retrieved their presence in the experimental surface enhanced Raman spectra. As well, the chemical shifts are discussed in terms of tautomers and rotamers of most favoured species. The expected formation of protonated and de-protonated citrazinic acid ions under extreme pH conditions was proven by evaluating specific interactions with H
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