Surprising Stability of Cubane under Extreme Pressure
Journal
Journal of Physical Chemistry Letters
Journal Volume
9
Journal Issue
8
Start Page
2031
End Page
2037
ISSN
19487185
Date Issued
2018
Author(s)
Zhu, Li
Ward, Matthew D.
Chaloux, Brian L.
Hrubiak, Rostislav
Epshteyn, Albert
Badding, John V.
Strobel, Timothy A.
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. © 2018 American Chemical Society.
Publisher
American Chemical Society
Type
journal article