Stability and transformation mechanism of weddellite nanocrystals studied by X-ray diffraction and infrared spectroscopy
文献信息
Claudia Conti, Luigi Brambilla, Chiara Colombo, David Dellasega, G. Diego Gatta, Marco Realini, Giuseppe Zerbi
This study is focused on the stability of weddellite, the dihydrate phase of calcium oxalate [CaC2O4·(2 + x)H2O], mainly detected in kidney stones and in oxalate films found on the surfaces of several ancient monuments. Its occurrence is a critical issue since, at environmental conditions, weddellite is unstable and quickly changes into whewellite, the monohydrate phase of calcium oxalate (CaC2O4·H2O). New single crystal X-ray diffraction experiments have been carried out, which confirm the structural model of weddellite previously published. Synthesised nanocrystals of weddellite have been kept under different hygrometric conditions in order to study, by X-ray powder diffraction, the influence of humidity on their stability. Moreover, the mechanism of transformation of weddellite nanocrystals has been investigated by infrared spectroscopy using D2O as a structural probe.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.











![(3R,4aR,7aS,9aR,10S,11R,13aR,13bS,15aS,15bR)-3,11-Dihydroxy-10-(hydroxymethyl)-4,4,7a,10,13a,15b-hexamethyl-1,2,3,4,4a,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-5H-naphtho[2',1':4,5]cyc
lohepta[1,2-a]naphthalen-5-one structure (3R,4aR,7aS,9aR,10S,11R,13aR,13bS,15aS,15bR)-3,11-Dihydroxy-10-(hydroxymethyl)-4,4,7a,10,13a,15b-hexamethyl-1,2,3,4,4a,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-5H-naphtho[2',1':4,5]cyc
lohepta[1,2-a]naphthalen-5-one structure](https://cnstatic.chemtradehub.com/structs/538/53800-21-8-9f18.webp)


