Synthesis and crystal structures of a new (2,3-(CH{sub 3}){sub 2}C{sub 6}H{sub 3}NH{sub 3})H{sub 2}XO{sub 4} (X=P, As)
The aim of encapsulation of 2,3-dimethylanilinium cation in (H{sub 2}XO{sub 4}){sub n} polymeric anion chains is to build acentric frameworks that are efficient for non-linear optical (NLO) applications. The synthesis and structures of two new inorganic-organic NLO crystals with general formula (2,3-(CH{sub 3}){sub 2}C{sub 6}H{sub 3}NH{sub 3})H{sub 2}XO{sub 4} (X=P, As) are reported. The magnitude of their second harmonic generations (SHG) responses was found to be between the KDP and urea. They crystallize with monoclinic unit-cells and are isotopic. We have determined the structure of phosphoric salt. The following unit-cell parameters were found: a=8.866(3) A, b=5.909(6) A, c=10.644(5) A, {beta}=112.44(1) deg., V=515.5(5) A{sup 3} and D{sub X}=1.412 g cm{sup -3}. The space group is P2{sub 1} with Z=2. The structure was refined with R=0.041 (R{sub w}=0.057) for 1652 reflections with I{>=}3{sigma}(I). It exhibits infinite (H{sub 2}PO{sub 4}){sub n}{sup n-} chains. The organic groups (2,3-(CH{sub 3}){sub 2}C{sub 6}H{sub 3}NH{sub 3}){sup +} are anchored between adjacent polyanions through multiple hydrogen bonds. Chemical preparation, crystal structure, calorimetric and spectroscopic investigation are described.
- OSTI ID:
- 20888083
- Journal Information:
- Materials Research Bulletin, Vol. 39, Issue 7-8; Other Information: DOI: 10.1016/j.materresbull.2004.02.017; PII: S0025540804000595; Copyright (c) 2004 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); ISSN 0025-5408
- Country of Publication:
- United States
- Language:
- English
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