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Comment
. 2017 Jan 31;114(5):E656-E657.
doi: 10.1073/pnas.1619276114. Epub 2017 Jan 17.

Polymeric phase V of carbon dioxide has not been recovered at ambient pressure and has a unique structure

Frédéric Datchi  1 , Mathieu Moog  2 , Fabio Pietrucci  2 , A Marco Saitta  2
Affiliations
Comment

Polymeric phase V of carbon dioxide has not been recovered at ambient pressure and has a unique structure

Frédéric Datchi et al. Proc Natl Acad Sci U S A. .
No abstract available

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Conflict of interest statement

The authors declare no conflict of interest.

Figures

Fig. 1.
Fig. 1.
Raman spectrum of CO2-V. The main panel shows the experimental spectrum (bottom red line) at 48 GPa, 300 K from Datchi et al. (4), and the theoretical ones for the I-42d structure (4, 5) (middle black line) and the Pna21 structure (1) (top green line) at 50 GPa, 0 K. The Inset shows the experimental spectrum at 40 GPa, 300 K from Yoo et al. (3) and the theoretical one for the I-42d structure (4, 5) at 40 GPa, 0 K. The asterisks indicate Raman peaks from the untransformed molecular CO2 in the experimental spectrum of Yoo et al. (3). The theoretical spectra were obtained by state-of-the-art ab initio calculations based on density functional perturbation theory, as implemented in the Quantum-Espresso code (10). Lorentzian profiles with arbitrary linewidths have been used for the theoretical spectra.
See this image and copyright information in PMC

Comment in

Comment on

  • Crystal structures and dynamical properties of dense CO2.
    Yong X, Liu H, Wu M, Yao Y, Tse JS, Dias R, Yoo CS. Yong X, et al. Proc Natl Acad Sci U S A. 2016 Oct 4;113(40):11110-11115. doi: 10.1073/pnas.1601254113. Epub 2016 Sep 19. Proc Natl Acad Sci U S A. 2016. PMID: 27647887 Free PMC article.

References

    1. Yong X, et al. Crystal structures and dynamical properties of dense CO2. Proc Natl Acad Sci USA. 2016;113(40):11110–11115. - PMC - PubMed
    1. Olijnyk H, Däufer H, Jodl H-J. Effect of pressure and temperature on the Raman spectra of solid CO2. J Chem Phys. 1988;88(7):4204–4212.
    1. Yoo CS, et al. Crystal structure of carbon dioxide at high pressure: “Superhard” polymeric carbon dioxide. Phys Rev Lett. 1999;83(26):5527–5530.
    1. Datchi F, Mallick B, Salamat A, Ninet S. Structure of polymeric carbon dioxide CO2-V. Phys Rev Lett. 2012;108(12):125701. - PubMed
    1. Santoro M, et al. Partially collapsed cristobalite structure in the non molecular phase V in CO2. Proc Natl Acad Sci USA. 2012;109(14):5176–5179. - PMC - PubMed

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