On the Structure of Amorphous Calcium Carbonate—A Detailed Study by Solid-State NMR Spectroscopy
Abstract
The calcium carbonate phases calcite, aragonite, vaterite, monohydrocalcite (calcium carbonate monohydrate), and ikaite (calcium carbonate hexahydrate) were studied by solid-state NMR spectroscopy ( (1)H and (13)C). Further model compounds were sodium hydrogencarbonate, potassium hydrogencarbonate, and calcium hydroxide. With the help of these data, the structure of synthetically prepared additive-free amorphous calcium carbonate (ACC) was analyzed. ACC contains molecular water (as H 2O), a small amount of mobile hydroxide, and no hydrogencarbonate. This supports the concept of ACC as a transient precursor in the formation of calcium carbonate biominerals.
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The NMR line width for ACC is 3.5 ppm FWHM.
“The observed chemical shift also corresponds well with amorphous calcium carbonate (ACC), however the NMR line width for ACC is considerably more broad, 3.5 ppm FWHM [32-34].”
From Mechanochemical formation of highly stable amorphous calcium carbonate in calcium silicates: Potential long-term storage of CO2 in cement (2024) · cites this paper as [34]
The observed 13C chemical shift corresponds well with amorphous calcium carbonate (ACC).
“The observed chemical shift also corresponds well with amorphous calcium carbonate (ACC), however the NMR line width for ACC is considerably more broad, 3.5 ppm FWHM [32-34].”
From Mechanochemical formation of highly stable amorphous calcium carbonate in calcium silicates: Potential long-term storage of CO2 in cement (2024) · cites this paper as [34]
ACC is often described as having an integral water component.
“as ACC is often described as having an integral water component [34, 43].”
From Mechanochemical formation of highly stable amorphous calcium carbonate in calcium silicates: Potential long-term storage of CO2 in cement (2024) · cites this paper as [34]
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- Authors
- Nebel, H., Neumann, M., Mayer, C., & Epple, M.
- Affiliations
- University of Duisburg-Essen (DE)
- Corresponding author
- Mayer, Christian
- Epple, Matthias
- Venue
- Inorganic Chemistry
- Publisher
- American Chemical Society (ACS)
- Published
- 2008-07-30
- Volume
- 47
- Issue
- 17
- Pages
- 7874-7879
- ISSN
- 0020-1669 (ISSN-L)
- 1520-510X
- OpenAlex
- W2012850866
- Cited by
- 237
- References
- 2
- Citations by year
- 2026: 13 · 2025: 22 · 2024: 24 · 2023: 12 · 2022: 12 · 2021: 17 · 2020: 12 · 2019: 20 · 2018: 16 · 2017: 11 · 2016: 9 · 2015: 10 · 2014: 10 · 2013: 14 · 2012: 10
- FWCI
- 3.57
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Inorganic Chemistry (publishedVersion)
- PubMed (publishedVersion)
- Universitätsbibliographie, Universität Duisburg-Essen (submittedVersion)
- Topics
- Physical Sciences › Materials Science › Biomaterials › Calcium Carbonate Crystallization and Inhibition
- Physical Sciences › Chemistry › Spectroscopy › Advanced NMR Techniques and Applications
- Physical Sciences › Earth and Planetary Sciences › Geochemistry and Petrology › Mineralogy and Gemology Studies
- Keywords
- amorphous calcium carbonate, calcium carbonate polymorphs, calcite, aragonite, vaterite, monohydrocalcite, ikaite, calcium hydroxide, molecular water, bicarbonate, solid-state NMR
- MeSH terms
- Calcium Carbonate, Calcium Hydroxide, Carbon Dioxide, Magnetic Resonance Spectroscopy, Spectrophotometry, Infrared, X-Ray Diffraction
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