Surprising Stability of Cubane under Extreme Pressure

Haw Tyng Huang, Li Zhu, Matthew D. Ward, Brian L. Chaloux, Rostislav Hrubiak, Albert Epshteyn, John V. Badding, Timothy A. Strobel

Research output: Contribution to journalArticlepeer-review

8 Scopus citations

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.

Original languageEnglish (US)
Pages (from-to)2031-2037
Number of pages7
JournalJournal of Physical Chemistry Letters
Volume9
Issue number8
DOIs
StatePublished - Apr 19 2018

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Physical and Theoretical Chemistry

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