Linking crystal structure with temperature-sensitive vibrational modes in calcium carbonate minerals
Literature Information
Ben Xu, Kristin M. Poduska
We demonstrate a correlation between how an IR-active vibrational mode responds to temperature changes and how it responds to crystallinity differences. Infrared (IR) spectroscopy was used to track changes in carbonate-related vibrational modes in three different CaCO3 polymorphs (calcite, aragonite, and vaterite) and CaMg(CO3)2 (dolomite) during heating. Of the three characteristic IR-active carbonate modes, the in-plane bending mode (ν4) shows the most pronounced changes with heating in polymorphs that have planar carbonate arrangements (calcite, aragonite, and dolomite). In contrast, this mode is virtually unchanged in vaterite, which has a canted arrangement of carbonate units. We correlate these trends with recent studies that identified the ν4 mode as most susceptible to changes related to crystallinity differences in calcite and amorphous calcium carbonate. Thus, our results suggest that studies of packing arrangements could provide a generalizable approach to identify the most diagnostic vibrational modes for tracking either temperature-dependent or crystallinity-related effects in IR-active solids.
Related Literature
Fabrication of bismuth subcarbonate nanotube arrays from bismuth citrate
Rong Chen, Man Ho So, Jun Yang, Feng Deng, Chi-Ming Che, Hongzhe Sun
DOI: 10.1039/B601764A
Sensory hybrid host materials for the selective chromo-fluorogenic detection of biogenic amines
Beatriz García-Acosta, María Comes, Julia L. Bricks, Margarita A. Kudinova, Vladimir V. Kurdyukov, Alexei I. Tolmachev, M. Dolores Marcos, Ramón Martínez-Máñez, Ana Moreno, Félix Sancenón, Juan Soto, Luis A. Villaescusa, Knut Rurack, José M. Barat, Isabel Escriche, Pedro Amorós
DOI: 10.1039/B602497A
Hemiaminals as substrates for sulfur ylides: Direct asymmetric syntheses of functionalised pyrrolidines and piperidines
Christoforos G. Kokotos, Varinder K. Aggarwal
DOI: 10.1039/B602226J
Supramolecular cruciforms
Warren W. Gerhardt, Anthony J. Zucchero, James N. Wilson, Clinton R. South, Uwe H. F. Bunz, Marcus Weck
DOI: 10.1039/B602087A
Insulated conducting polymers: manipulating charge transport using supramolecular complexes
Phoebe H. Kwan, Timothy M. Swager
DOI: 10.1039/B508399K
Highly stable cyclic dimers based on non-covalent interactions
Valérie G. H. Lafitte, Abil E. Aliev, Peter N. Horton, Michael B. Hursthouse, Helen C. Hailes
DOI: 10.1039/B600459H
Demonstration of the optical limiting effect for an hemiporphyrazine
Danilo Dini, Mario J. F. Calvete, Michael Hanack, Vincenzo Amendola, Moreno Meneghetti
DOI: 10.1039/B601591C
Hexagonally ordered mesoporous ternary Li2O–TiO2–P2O5 oxides with high lithium content
Donglin Li, Haoshen Zhou, Itaru Honma, Masaki Ichihara
DOI: 10.1039/B509028H
Intramolecular alkene hydroaminations catalyzed by a bis(thiophosphinic amidate) Zr(iv) complex
Hyunseok Kim, Phil Ho Lee, Tom Livinghouse
DOI: 10.1039/B505738H
You might also like
What are the main uses of 1H-Indazole-6-carbonitrile (CAS: 141290-59-7)?
1H-Indazole-6-carbonitrile finds applications in pharmaceuticals, where it serve...
How should waste containing Dioctyl (2E)-2-butenedioate (CAS: 2997-85-5) be handled?
Waste containing Dioctyl (2E)-2-butenedioate (CAS: 2997-85-5) should be collecte...
What industries use Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide (CAS: 68291-98-5)?
Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide is primarily used in pharmac...
Are there alternatives to Dimethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-pyridinedicarboxylate (CAS: 741709-66-0) in synthesis?
Dimethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-pyridinedicarboxyla...
How should waste containing 2-Fluoro-6-hydrazinopyridine (CAS: 80714-39-2) be handled?
Waste containing 2-Fluoro-6-hydrazinopyridine (CAS: 80714-39-2) should be manage...
What is 6-Formyl-2-pyridinecarboxylic acid (CAS: 499214-11-8)?
6-Formyl-2-pyridinecarboxylic acid is an organic compound with the molecular for...
What is the market or research trend for 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CAS: 900874-91-1)?
Research trends for this compound indicate a focus on its potential applications...
How is 9H-Tribenzo[b,d,f]azepine (CAS: 29875-73-8) typically synthesized?
9H-Tribenzo[b,d,f]azepine is typically synthesized via a multi-step process invo...
How is 1-Cyclopropyl-7-ethoxy-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 1797982-51-4) typically synthesized?
1-Cyclopropyl-7-ethoxy-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxyli...
How should waste containing Methyl 3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxylate (CAS: 671820-52-3) be handled?
Waste containing Methyl 3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxylate (CAS: ...
Source Journal
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.











![Sodium (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)-2-heptenoate structure Sodium (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)-2-heptenoate structure](https://static.chemtradehub.com/structs/811/81129-83-1-441c.webp)

![N-[(9H-Fluoren-9-ylmethoxy)carbonyl]serine structure N-[(9H-Fluoren-9-ylmethoxy)carbonyl]serine structure](https://static.chemtradehub.com/structs/737/73724-45-5-b0dc.webp)
