Details

Autor(en) / Beteiligte

• Bourgogne, Cyril
• Fur, Yvette Le
• Juen, Patrick
• Masson, Patrick
• Nicoud, Jean-François
• Masse, René

Titel

Tetra(4-methoxyphenyl)phosphonium Iodide:  A Twinned Crystal Built Up with Three-Dimensional Octupolar Nonlinear Optical Chromophores

Ist Teil von

• Chemistry of materials, 2000-04, Vol.12 (4), p.1025-1033

Ort / Verlag

Washington, DC: American Chemical Society

Erscheinungsjahr

2000

Link zum Volltext

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• The tetra(4-methoxyphenyl)phosphonium iodide C28H28O4PI (MOPPI) is a crystal built up with quasi octupolar tetrahedral chromophores having quadratic nonlinear optical (NLO) properties. The calculated values of the highest tensor component β xyz for the hyperpolarizable chromophore, in its most stable S 4 geometry, vary from 4.23 to 9.23 × 10-30 esu, depending on the methods of calculation. Given the linear absorption maximum at 255 nm, this reveals a good hyperpolarizability−transparency tradeoff. The crystal is twinned by merohedry. The crystal structure was solved until a reliability factor R = 0.048 using 2189 untwinned reflections. The material crystallizes in the noncentrosymmetric orthorhombic space group P212121 with Z = 4 and the unit cell parameters a = b = 10.131(3) Å, c = 25.682(6) Å. The cation−anion arrangement corresponds to a NaCl-type model weakly distorted. Signal of second harmonic of a crystalline powder at 1.06 μm is nearly equivalent to that of urea.