ArticleChemistry (Weinheim an der Bergstrasse, Germany)2022
Synchrotron X-ray Electron Density Analysis of Chemical Bonding in the Graphitic Carbon Nitride Precursor Melamine.
Article in Chemistry (Weinheim an der Bergstrasse, Germany), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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7 citing papers in PubMed, 16 citations in OpenAlex.
- Stabilization of Fully Deprotonated Melaminate Anions (CJournal of the American Chemical Society · 2026Article
- Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography.IUCrJ · 2025Article
- Non-invasive detection of hazardous materials with a thermal-to-epithermal neutron station: a feasibility study towards practical application.Scientific reports · 2024Article
- Current developments and trends in quantum crystallography.Acta crystallographica Section B, Structural science, crystal engineering and materials · 2024Article
- Comparative study of conventional and synchrotron X-ray electron densities on molecular crystals.Acta crystallographica Section B, Structural science, crystal engineering and materials · 2023Article
- In data we trust: X-ray diffraction experiments for charge density investigations.Acta crystallographica Section B, Structural science, crystal engineering and materials · 2023Article
- Synchrotron X-ray Electron Density Analysis of Chemical Bonding in the Graphitic Carbon Nitride Precursor Melamine.Chemistry (Weinheim an der Bergstrasse, Germany) · 2022Article
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8 authors at 2 institutions in 2 countries.
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Abstract
Melamine is a precursor and building block for graphitic carbon nitride (g-CN) materials, a group of layered materials showing great promise for catalytic applications. The synthetic pathway to g-CN includes a polycondensation reaction of melamine by evaporation of ammonia. Melamine molecules in the crystal organize into wave-like planes with an interlayer distance of 3.3 Å similar to that of g-CN. Here we present an extensive investigation of the experimental electron density of melamine obtained from modelling of synchrotron radiation X-ray single-crystal diffraction data measured at 25 K with special focus on the molecular geometry and intermolecular interactions. Both intra- and interlayer structures are dominated by hydrogen bonding and π-interactions. Theoretical gas-phase optimizations of the experimental molecular geometry show that bond lengths and angles for atoms in the same chemical environment (C-N bonds in the ring, amine groups) differ significantly more for the experimental geometry than for the gas-phase-optimized geometries, indicating that intermolecular interactions in the crystal affects the molecular geometry. In the experimental crystal geometry, one amine group has significantly more sp
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