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Surprising Stability of Cubane under Extreme Pressure.
Huang, Haw-Tyng; Zhu, Li; Ward, Matthew D; Chaloux, Brian L; Hrubiak, Rostislav; Epshteyn, Albert; Badding, John V; Strobel, Timothy A.
Afiliação
  • Zhu L; Geophysical Laboratory , Carnegie Institution of Washington , 5251 Broad Branch Road Northwest , Washington , DC 20015 , United States.
  • Ward MD; Geophysical Laboratory , Carnegie Institution of Washington , 5251 Broad Branch Road Northwest , Washington , DC 20015 , United States.
  • Chaloux BL; Chemistry Division , U.S. Naval Research Laboratory , Washington , DC 20375 , United States.
  • Hrubiak R; High Pressure Collaborative Access Team (HPCAT), Geophysical Laboratory , Carnegie Institution of Washington , Argonne , Illinois 60439 , United States.
  • Epshteyn A; Chemistry Division , U.S. Naval Research Laboratory , Washington , DC 20375 , United States.
  • Strobel TA; Geophysical Laboratory , Carnegie Institution of Washington , 5251 Broad Branch Road Northwest , Washington , DC 20015 , United States.
J Phys Chem Lett ; 9(8): 2031-2037, 2018 Apr 19.
Article em En | MEDLINE | ID: mdl-29561621
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.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE País/Região como assunto: Cuba Idioma: En Revista: J Phys Chem Lett Ano de publicação: 2018 Tipo de documento: Article País de publicação: Estados Unidos
Texto completo
Adicionar na Minha BVS
Imprimir
XML
PubMed Links
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE País/Região como assunto: Cuba Idioma: En Revista: J Phys Chem Lett Ano de publicação: 2018 Tipo de documento: Article País de publicação: Estados Unidos