Synthesis, Crystal Structures, and Second-Order Nonlinear Optical Properties of New Chiral Ferrocenyl Materials
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- 作者：Gilbert G. A. Balavoine ; Jean-Claude Daran ; Gabriel Iftime ; Pascal G. Lacroix ; Eric Manoury ; Jacques A. Delaire ; Isabelle Maltey-Fanton ; Keitaro Nakatani ; and Santo Di Bella
- 刊名：Organometallics
- 出版年：1999
- 出版时间：January 4, 1999
- 年：1999
- 卷：18
- 期：1
- 页码：21 - 29
- 全文大小：339K
- 年卷期：v.18,no.1(January 4, 1999)
- ISSN：1520-6041
文摘
A series of chiral enantiomerically pure analogues of (E)-(2-(4-nitrophenyl)ethenyl)ferrocene(2), substituted by R (3, R = Me; 4, R = CH2OH; 5, R = SiMe3), in the 2-position on thecyclopentadienyl ring, were synthesized. Measurements by electric-field-induced second-harmonic generation (EFISH) and calculations by INDOS/CI-SOS show that the differentchromophores have closely related molecular NLO responses. However, the crystal packingsfor the different compounds, observed by X-ray diffraction on a monocrystal, are completelydifferent. In any case, the chirality of the constituting molecules avoids the centrosymmetryof the crystals and therefore preserves the NLO efficiency in the solid state. In the case of3, the crystal packing is close to the centrosymmetry and so the bulk NLO efficiency is low(6 times that of urea, 
= 1.907 
m) but not nil, as is the case for 2. For 4, the crystal packingis much better for NLO (efficiency 20 times that of urea, = 1.907 m) and is almostoptimized for 5 (efficiency 100 times that of urea, = 1.907 m). The correlation betweenmolecular and bulk NLO responses was studied using the model proposed by Zyss.
= 1.907 m) but not nil, as is the case for 2. For 4, the crystal packingis much better for NLO (efficiency 20 times that of urea, = 1.907 m) and is almostoptimized for 5 (efficiency 100 times that of urea, = 1.907 m). The correlation betweenmolecular and bulk NLO responses was studied using the model proposed by Zyss.