Document Type
Article
Original Publication Date
2011
Journal/Book/Conference Title
The Journal of Chemical Physics
Volume
135
Issue
14
DOI of Original Publication
10.1063/1.3650238
Date of Submission
October 2015
Abstract
Recent work has shown that BO2 which is a superhalogen with an electron affinity of 4.46 eV, can be used as building block of a new class of molecules/clusters whose electron affinities can exceed that of BO2. This class of molecules was named hyperhalogens and the concept was illustrated by focusing on Au(BO2)2. Here we explore other superhalogens besides BO2 to see if they too can be used to form hyperhalogens. We have chosen to focus on AlO2 which is valence isoelectronic with BO2 as well as VO3 which involves a transition metal atom. The results obtained using density functional theory show unexpected behavior: Although AlO2 and VO3are both superhalogens such as BO2, only Na(BO2)2 is a hyperhalogen while Na(AlO2)2 and Na(VO3)2 are not. The origin of this anomalous result is traced to the large binding energy of the dimers of AlO2 and VO3.
Rights
Pradhan, K., and Jena, P. Potential candidates for hyperhalogens: A comparative study of BO2, AlO2, and VO3 species. The Journal of Chemical Physics, 135, 144305 (2011). Copyright © 2011 American Institute of Physics.
Is Part Of
VCU Physics Publications
Comments
Originally published at http://dx.doi.org/10.1063/1.3650238