Bulletin of the American Physical Society
APS March Meeting 2021
Volume 66, Number 1
Monday–Friday, March 15–19, 2021; Virtual; Time Zone: Central Daylight Time, USA
Session J19: Matter in Extreme Environments: Novel Chemistry
3:00 PM–5:48 PM,
Tuesday, March 16, 2021
Sponsoring
Units:
DCOMP DMP
Chair: Shuai Zhang, University of Rochester
Abstract: J19.00007 : The change of basic chemical behavior of elements under high pressure*
5:00 PM–5:12 PM
Live
Presenter:
Yuanhui Sun
(California State University, Northridge)
Authors:
Yuanhui Sun
(California State University, Northridge)
Maosheng Miao
(California State University, Northridge)
Using first principles calculations, we demonstrate that under high pressure, the above doctrines can be broken. Our previous studies showed that both the inner shell electrons and the outer shell empty orbitals of Cs and other elements can involve in chemical reactions. The formation of CsFn (n > 1) compounds demonstrates that Cs atom can behave like a p-block element under high pressure.[1] Besides, we found that Hg in Hg-F compounds transfers charge from the d orbitals to F atoms, thus behaving as a transition metal. We have extended the above study and found that the involvement of core electrons in forming chemical bonds is a common phenomena while the external pressure is high enough.
[1] Nat. Chem. 2013, 5, 846.
*The authors acknowledge the support of NSF CAREER award 1848141 and ACF PRF 50249-UN16.
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