Unprecedented stability enhancement of multiply charged anions through decoration with negative electron affinity noble gases
Author:
Affiliation:
1. Theoretical Chemistry Section, Chemistry Group
2. Bhabha Atomic Research Centre
3. Mumbai 400085
4. India
5. Homi Bhabha National Institute
Abstract
Noble gas inserted highly symmetric icosahedral B12Ng12F122− (Ng = Kr–Xe) dianions with exceptional electronic stability in the gas phase are predicted using DFT, MP2 and DLPNO-CCSD(T) based methods.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP01478H
Reference44 articles.
1. Multiply Charged Anions in the Gas Phase
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3. Observation and investigation of the uranyl tetrafluoride dianion (UO2F42−) and its solvation complexes with water and acetonitrile
4. Stability of B12 (CN)12 2− : Implications for Lithium and Magnesium Ion Batteries
5. B12(SCN)12–: An Ultrastable Weakly Coordinating Dianion
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