Chemical Bonding and σ-Aromaticity in Charged Molecular Alloys: [Pd2As14]4− and [Au2Sb14]4− Clusters
Abstract We report a computational study on the structures and bonding of a charged molecular alloy D 2h [Pd2As14]4− (1), as well as a model D 2h [Au2Sb14]4− (2) cluster. Our effort makes use of an array of quantum chemistry tools: canonical molecular orbital analysis, adaptive natural density parti...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2017-04-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-017-00867-5 |