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We have conducted a Raman study of methane (CH 4 ), a major constituent of the outer planets, at pressures up to 165 GPa. Two Raman-active fundamental vibrational modes are present in this region: the strong v 1 symmetric CH 3 stretch mode centered at 2953.7 cm −1 and the weaker v 7 asymmetric CH-stretch mode centered at 2968.7 cm –1. High Pressure Hydrocarbons Revisited: From van der Waals Compounds to Diamond. A discontinuous change in the pressure derivative of the ν3 peak position is observed at approximately 75 GPa, corresponding to the phase change previously observed using X-ray diffraction. 4 AB - We have conducted a Raman study of methane (CH4), a major constituent of the outer planets, at pressures up to 165 GPa. Table S2. We observe splitting of the principal Raman-active vibrational mode above 45 GPa and a nonlinear dependence of Raman peak position on pressure. o determine the active mode by considering the modes already identified o only two E modes are allowed, and we have already found both of them (one is a stretch and the other an "in-plane" or breathing bend). author = "Proctor, {J. E.} and Maynard-Casely, {H. E.} and Hakeem, {M. Edit - response to example added (question d) by OP. For H 2 O, z 2 and x 2-y 2 transform as a 1, xy as a 2, xz as b 1 and yz as b 2.The modes a 1 and b 2 are also Raman active since Γ vib contains both these modes. abstract = "We have conducted a Raman study of methane (CH4), a major constituent of the outer planets, at pressures up to 165 GPa. Fitted equations of state for the simple cubic (SC) and cubic high pressure (cHP) phases. A.} If there is no such change in the dipole moment, the vibration is IR inactive, but still possibly active in the Raman spectrum. Learn about our remote access options, Materials and Physics Research Group, School of Computing, Science and Engineering, University of Salford, Manchester, M5 4WT UK, Photon Science Institute and School of Electrical and Electronic Engineering, University of Manchester, Oxford Road, Manchester, M13 9PL UK. In order to determine which modes are Raman active, the irreducible representation that corresponds to z 2, x 2-y 2, xy, xz and yz is used and again cross checked with Γvib. Search text. Each type of vibration is classified according to the symmetry group of the molecule [1]. Dotted lines show the pressure dependence of the ν1 and ν3 vibron peak positions found in ref. In both types the neighbouring strong bands may obscure weak bands, while others may be intrinsically too weak to be observed even if they are theoretically “allowed”. Proctor, Materials and Physics Research Group, School of Computing, Science and Engineering, University of Salford, Manchester M5 4WT, UK. UR - http://www.scopus.com/inward/record.url?scp=85038374671&partnerID=8YFLogxK, Proctor, JE, Maynard-Casely, HE, Hakeem, MA & Cantiah, D 2017, '. [9], for the pressure range 0–20 GPa. Comparison of our own experimental data (c.f. A discontinuous change in the pressure derivative of the ν 3 peak position is observed at approximately … Low resolution spectra typical of combustion application from “synthetic” spectra. 1. Draw a representation of the Raman spectrum of CCl 4 that includes both the Stokes and anti-Stokes lines. (t 2) 3104 cm-1 (IR intensity = 0.039) (Raman active) ... (t 2) 3104 cm-1 (IR intensity = 0.039) (Raman active) (b) ν1 (2) Raman mode in the range 45–70 GPa. This capability will greatly extend the range of applicability of Raman measurements in combustion applications. The Grüneisen parameters for the principal Raman‐active modes of methane in the simple cubic and high‐pressure cubic phases are calculated. A set of synthetic spectra have been generated for each hydrocarbon, providing the basis for extrapolation to higher temperatures. That’s a consequence of the T d symmetry of the methane molecule. Alternatively, use our A–Z index We observe splitting of the principal Raman‐active vibrational mode above 45 GPa and a nonlinear dependence of Raman peak position on pressure. J.E. Selection rule is being used to determined whether any given transition is forbidden, but I just can't figure out how do we get the selection rule in the first place. Proceedings of the National Academy of Sciences.

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