Jump to main content
Jump to site search
PLANNED MAINTENANCE Close the message box

Scheduled maintenance upgrade on Thursday 4th of May 2017 from 8.00am to 9.00am (BST).

During this time our websites will be offline temporarily. If you have any questions please use the feedback button on this page. We apologise for any inconvenience this might cause and thank you for your patience.


Issue 44, 2016
Previous Article Next Article

Rb2SeOCl4·H2O: a polar material among the alkali metal selenite halides with a strong SHG response

Author affiliations

Abstract

An alkali metal selenite chloride, Rb2SeOCl4·H2O, has been hydrothermally synthesized and structurally characterized. It is the first example of an alkali metal selenite halide in the literature. The compound crystallizes in the noncentrosymmetric (NCS) space group, Cmc21(36), of the orthorhombic system with a = 10.342(3) Å, b = 10.124(3) Å, c = 9.158(3) Å, and α = β = γ = 90°. The anionic [SeOCl4]2− groups are arranged in the crystal in nearly the same direction, giving rise to a relatively large macroscopic dipole moment, causing the compound to display second harmonic generation (SHG) eight times as strong as that of KDP, measured using the Kurtz–Perry method on powders. First-principle density functional theory (DFT) calculations were carried out to interpret the relationship between the crystal structure and properties.

Graphical abstract: Rb2SeOCl4·H2O: a polar material among the alkali metal selenite halides with a strong SHG response

Back to tab navigation
Please wait while Download options loads

Supplementary files

Publication details

The article was received on 30 Jun 2016, accepted on 10 Oct 2016 and first published on 10 Oct 2016


Article type: Paper
DOI: 10.1039/C6DT02608G
Citation: Dalton Trans., 2016,45, 17723-17728
  •   Request permissions

    Rb2SeOCl4·H2O: a polar material among the alkali metal selenite halides with a strong SHG response

    Q. Wu, H. Liu, L. Kang, Z. Lin, X. Meng, X. Chen and J. Qin, Dalton Trans., 2016, 45, 17723
    DOI: 10.1039/C6DT02608G

Search articles by author