Crystal Research and Technology
Cryst. Res. Technol. 42, 201 (2007) - Abstract -

Polymeric metal-organic octupolar NLO materials: lithium(I) and sodium(I) 3,5-dinitrobenzoates

Guang Yang and Seik Weng Ng*

Department of Chemistry, Zhengzhou University, Zhengzhou 450052, China
*Department of Chemistry, University of Malaya, 50603, Kuala Lumpur, Malaysia

Keywords octupolar NLO materials, lithium(I), sodium(I), 3,5-dinitrobenzoate
PACS 61.66.Fn
DOI 10.1002/crat.200610797

Lithium 3,5-dinitrobenzoate (Li(dnb)) exhibits a 1D propeller chain structure of D3 point symmetry and the chains are trigonally assembled in the crystal under the chiral space group P3121. Sodium 3,5-dinitrobenzoate (Na(dnb)) also crystallizes in space group P3121 and exhibits a 3D structure. The structure of Na(dnb) could be regarded to be similar to that of Li(dnb) if the weaker Na-O(nitro) bonds were to be ignored. These two compounds represent rare examples of octupoles arranged in an octupolar environment and show modest powder SHG effects.





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