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“Old dog, new tricks”: the lone pair effect inducing divergent optical responses in lead cyanurates containing π-bonds

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Abstract

The stereochemically active lone pair (SCALP) effect of Pb2+ plays a vital role in enhancing the nonlinear optical response and engineering the band gap of lead-based materials with intriguing properties. Herein, we combined SCALP Pb2+ cations and π-conjugated (HC3N3O3)2− anions into one structure to investigate the tunable optical properties. Two lead cyanurates, namely, Pb3(HC3N3O3)2(OH)2 (I) and its partly cadmium-substituted analog Pb2Cd(HC3N3O3)2(OH)2 (II) were grown by the mild hydrothermal method. They exhibited greatly narrowed bandgaps and enhanced optical anisotropy resulting from the SCALP effect. In addition, divergent optical responses induced from the involved Pb (6s26p2) and Cd (4d105s2) were elaborated by a combination of experimental and theoretical analyses.

Graphical abstract: “Old dog, new tricks”: the lone pair effect inducing divergent optical responses in lead cyanurates containing π-bonds

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Article information


Submitted
07 Nov 2019
Accepted
11 Dec 2019
First published
11 Dec 2019

Dalton Trans., 2020, Advance Article
Article type
Communication

“Old dog, new tricks”: the lone pair effect inducing divergent optical responses in lead cyanurates containing π-bonds

X. Meng, K. Kang, F. Liang, J. Tang, Z. Lin, W. Yin and M. Xia, Dalton Trans., 2020, Advance Article , DOI: 10.1039/C9DT04313F

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