Issue 19, 2013

Tl(VO)2O2(IO3)3: a new polar material with a strong SHG response

Abstract

The synthesis, crystal and band structures and optical characterizations of a new polar thallium(I) vanadyl iodate, namely Tl(VO)2O2(IO3)3, are reported. Tl(VO)2O2(IO3)3 crystallizes in the orthorhombic polar space group Ima2 (No. 46) with a = 14.1143(17), b = 10.2116(12), c = 8.0319(9) Å, V = 1157.6(2) Å3 and Z = 4. The structure of Tl(VO)2O2(IO3)3 exhibits a 1D [(VO)2O2(IO3)3] chain in which neighboring distorted VO6 octahedra are interconnected by both bridging oxo and iodate anions. The SHG measurements on Tl(VO)2O2(IO3)3, using a 2050 nm laser radiation, showed a moderate strong SHG response of 1.2 × KTP(KTiOPO4). Furthermore, the material is phase-matchable. Theoretical calculations based on DFT methods were performed by using the total-energy code CASTEP.

Graphical abstract: Tl(VO)2O2(IO3)3: a new polar material with a strong SHG response

Supplementary files

Article information

Article type
Paper
Submitted
29 Dec 2012
Accepted
22 Feb 2013
First published
22 Feb 2013

Dalton Trans., 2013,42, 7051-7058

Tl(VO)2O2(IO3)3: a new polar material with a strong SHG response

C. Huang, C. Hu, X. Xu, B. Yang and J. Mao, Dalton Trans., 2013, 42, 7051 DOI: 10.1039/C3DT33107E

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