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Raman Signatures and Thermal Expansivity of Acetylene Clathrate Hydrate.
J Phys Chem A 2019; 123(32):7051-7056JP

Abstract

The vibrational signatures for the υ2 C≡C and υ1 symmetric C-H stretches of acetylene in cubic structure I clathrate, synthesized under ambient pressure, are reported for the first time. The most diagnostic features are at 1966 for υ2 and 3353 cm-1 for υ1, respectively, and are assigned to acetylene trapped in the large 51262 cages. In addition, the υ2 mode for acetylene occupying the small 512 cages is observed at 1972.5 cm-1, a red shift of 1.5 cm-1 from its gas phase frequency. Unit cell parameters and thermal expansion coefficients are determined via powder X-ray diffraction between 195 and 225 K and are found to be in good correlation with previous single crystal data at 143 K. The calculated density for acetylene clathrate is also reported, with values ranging from 0.985 g/cm3 at 195 K to 0.976 g/cm3 at 225 K. These results are relevant for spectral detection of acetylene-containing compounds on planetary bodies, as well as providing additional insights on the thermal behavior and physical properties of acetylene clathrate.

Authors+Show Affiliations

Jet Propulsion Laboratory , California Institute of Technology , Pasadena , California 91109 , United States.Jet Propulsion Laboratory , California Institute of Technology , Pasadena , California 91109 , United States.Jet Propulsion Laboratory , California Institute of Technology , Pasadena , California 91109 , United States.Jet Propulsion Laboratory , California Institute of Technology , Pasadena , California 91109 , United States.

Pub Type(s)

Journal Article

Language

eng

PubMed ID

31310533

Citation

Vu, Tuan H., et al. "Raman Signatures and Thermal Expansivity of Acetylene Clathrate Hydrate." The Journal of Physical Chemistry. A, vol. 123, no. 32, 2019, pp. 7051-7056.
Vu TH, Hodyss R, Cable ML, et al. Raman Signatures and Thermal Expansivity of Acetylene Clathrate Hydrate. J Phys Chem A. 2019;123(32):7051-7056.
Vu, T. H., Hodyss, R., Cable, M. L., & Choukroun, M. (2019). Raman Signatures and Thermal Expansivity of Acetylene Clathrate Hydrate. The Journal of Physical Chemistry. A, 123(32), pp. 7051-7056. doi:10.1021/acs.jpca.9b04426.
Vu TH, et al. Raman Signatures and Thermal Expansivity of Acetylene Clathrate Hydrate. J Phys Chem A. 2019 Aug 15;123(32):7051-7056. PubMed PMID: 31310533.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Raman Signatures and Thermal Expansivity of Acetylene Clathrate Hydrate. AU - Vu,Tuan H, AU - Hodyss,Robert, AU - Cable,Morgan L, AU - Choukroun,Mathieu, Y1 - 2019/08/01/ PY - 2020/08/15/pmc-release PY - 2019/7/17/pubmed PY - 2019/7/17/medline PY - 2019/7/17/entrez SP - 7051 EP - 7056 JF - The journal of physical chemistry. A JO - J Phys Chem A VL - 123 IS - 32 N2 - The vibrational signatures for the υ2 C≡C and υ1 symmetric C-H stretches of acetylene in cubic structure I clathrate, synthesized under ambient pressure, are reported for the first time. The most diagnostic features are at 1966 for υ2 and 3353 cm-1 for υ1, respectively, and are assigned to acetylene trapped in the large 51262 cages. In addition, the υ2 mode for acetylene occupying the small 512 cages is observed at 1972.5 cm-1, a red shift of 1.5 cm-1 from its gas phase frequency. Unit cell parameters and thermal expansion coefficients are determined via powder X-ray diffraction between 195 and 225 K and are found to be in good correlation with previous single crystal data at 143 K. The calculated density for acetylene clathrate is also reported, with values ranging from 0.985 g/cm3 at 195 K to 0.976 g/cm3 at 225 K. These results are relevant for spectral detection of acetylene-containing compounds on planetary bodies, as well as providing additional insights on the thermal behavior and physical properties of acetylene clathrate. SN - 1520-5215 UR - https://www.unboundmedicine.com/medline/citation/31310533/Raman_Signatures_and_Thermal_Expansivity_of_Acetylene_Clathrate_Hydrate L2 - https://dx.doi.org/10.1021/acs.jpca.9b04426 DB - PRIME DP - Unbound Medicine ER -