@article{d84bf035d89d4b8a8542cd921b830c49,
title = "Surprising Stability of Cubane under Extreme Pressure",
abstract = "The chemical stability of solid cubane under high-pressure was examined with in situ Raman spectroscopy and synchrotron powder X-ray diffraction (PXRD) in a diamond anvil cell (DAC) up to 60 GPa. The Raman modes associated with solid cubane were assigned by comparing experimental data with calculations based on density functional perturbation theory, and low-frequency lattice modes are reported for the first time. The equation of state of solid cubane derived from the PXRD measurements taken during compression gives a bulk modulus of 14.5(2) GPa. In contrast with previous work and chemical intuition, PXRD and Raman data indicate that solid cubane exhibits anomalously large stability under extreme pressure, despite its immensely strained 90° C-C-C bond angles.",
author = "Huang, {Haw Tyng} and Li Zhu and Ward, {Matthew D.} and Chaloux, {Brian L.} and Rostislav Hrubiak and Albert Epshteyn and Badding, {John V.} and Strobel, {Timothy A.}",
note = "Funding Information: This work was supported by DARPA under ARO Contract No. W31P4Q-13-1-0005. Portions of this work were performed at HPCAT (Sector 16) and GSECARS (The University of Chicago, sector 13), Advanced Photon Source (APS), Argonne National Laboratory. HPCAT operations are supported by DOE-NNSA under Award No. DE-NA0001974, with partial instrumentation funding by NSF. GeoSoilEnviroCARS is supported by the National Science Foundation - Earth Sciences (EAR-1128799) and Department of Energy- GeoSciences (DE-FG02-94ER14466). The Advanced Photon Source is a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. Funding Information: We thank V. Prakapenka and E. Greenberg for help with the in situ XRD measurements at GSECARS. This work was supported by DARPA under ARO Contract No. W31P4Q-13-1-0005. Portions of this work were performed at HPCAT (Sector 16) and GSECARS (The University of Chicago, sector 13), Advanced Photon Source (APS), Argonne National Laboratory. HPCAT operations are supported by DOE-NNSA under Award No. DE-NA0001974, with partial instrumentation funding by NSF. GeoSoilEnviroCARS is supported by the National Science Foundation - Earth Sciences (EAR-1128799) and Department of Energy-GeoSciences (DE-FG02-94ER14466). The Advanced Photon Source is a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. Publisher Copyright: {\textcopyright} 2018 American Chemical Society.",
year = "2018",
month = apr,
day = "19",
doi = "10.1021/acs.jpclett.8b00395",
language = "English (US)",
volume = "9",
pages = "2031--2037",
journal = "Journal of Physical Chemistry Letters",
issn = "1948-7185",
publisher = "American Chemical Society",
number = "8",
}