Issue 48, 2018

Cs3VO(O2)2CO3: an exceptionally thermostable carbonatoperoxovanadate with an extremely large second-harmonic generation response

Abstract

A novel nonlinear optical (NLO) carbonatoperoxovanadate, Cs3VO(O2)2CO3, with an exceptionally high thermostability was successfully synthesized by introducing highly polarizable Cs+ cations and inorganic polydentate carbonate anions into asymmetric peroxovanadates. The structure of Cs3VO(O2)2CO3 is composed of distorted [VO(O2)2CO3]3− units and charge balancing Cs+ cations. The title compound exhibits the largest NLO intensity ever found in the current carbonate NLO materials, i.e., 23.0 times that of KH2PO4 (KDP). The remarkably strong second-harmonic generation (SHG) response originates from the synergistic effect of the exceedingly polarizable Cs+ cations, distortive polyhedra of the V5+ cation, delocalized π orbitals in CO3 groups, and distorted localized π orbitals in O2 groups. First-principles calculations indicated that introducing the polarizable cations into peroxovanadates not only induces the enhancement of the SHG response but also improves the thermal stability of the framework.

Graphical abstract: Cs3VO(O2)2CO3: an exceptionally thermostable carbonatoperoxovanadate with an extremely large second-harmonic generation response

Supplementary files

Article information

Article type
Edge Article
Submitted
17 Aug 2018
Accepted
22 Sep 2018
First published
24 Sep 2018
This article is Open Access

All publication charges for this article have been paid for by the Royal Society of Chemistry
Creative Commons BY-NC license

Chem. Sci., 2018,9, 8957-8961

Cs3VO(O2)2CO3: an exceptionally thermostable carbonatoperoxovanadate with an extremely large second-harmonic generation response

G. Zou, Z. Lin, H. Zeng, H. Jo, S. Lim, T. You and K. M. Ok, Chem. Sci., 2018, 9, 8957 DOI: 10.1039/C8SC03672A

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