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Issue 43, 2018
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Actinide embedded nearly planar gold superatoms: structural properties and applications in surface-enhanced Raman scattering (SERS)

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Abstract

Planarity is a special property of superatoms, different from atoms. In this work, we predicted a series of nearly planar structures, An@Au6 (An = Ac−1, Th, Pa+1) clusters, using density functional theory (DFT). Calculations of these actinide embedded clusters reveal a 10-electron (1s21p41d4) closed-shell singlet configuration. It is found that all An@Au6 clusters are nearly or purely planar structures with only in-plane two-dimensional occupied superatomic molecular orbitals (SAMOs). In addition, applying them as surface-enhanced Raman scattering (SERS) substrates, the charge-transfer (CT) states at 677 nm (1dmetal–π1*pyridine) can lead to a SERS signal enhancement of 104 for a pyridine–Th@Au6 complex. Our research indicates that actinide embedded nearly planar superatomic clusters have unique optical properties and potential application value.

Graphical abstract: Actinide embedded nearly planar gold superatoms: structural properties and applications in surface-enhanced Raman scattering (SERS)

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Supplementary files

Article information


Submitted
22 Aug 2018
Accepted
11 Oct 2018
First published
11 Oct 2018

Phys. Chem. Chem. Phys., 2018,20, 27523-27527
Article type
Paper

Actinide embedded nearly planar gold superatoms: structural properties and applications in surface-enhanced Raman scattering (SERS)

J. Wang, W. Xie, J. Wang, Y. Gao, J. Lei, R. Zhang and Z. Wang, Phys. Chem. Chem. Phys., 2018, 20, 27523
DOI: 10.1039/C8CP05350B

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