Coupling Octupoles in Crystals: The Case of the 1,3,5-Trinitrobenzene-Triphenylene 1:1 Molecular Co-Crystal

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• 作者：Joseph Zyss ; Isabelle Ledoux-Rak ; Hans-Christoph Weiss ; Dieter Blä ; ser ; Roland Boese ; Praveen K. Thallapally ; Venkat R. Thalladi ; and Gautam. R. Desiraju
• 刊名：Chemistry of Materials
• 出版年：2003
• 出版时间：August 12, 2003
• 年：2003
• 卷：15
• 期：16
• 页码：3063 - 3073
• 全文大小：317K
• 年卷期：v.15,no.16(August 12, 2003)
• ISSN：1520-5002

文摘

A new supramolecular crystal engineering approach toward quadratic nonlinear optics isinferred from an acentric cocrystalline template made of two different bi-dimensionaloctupolar molecules: trinitrobenzene (TNB) and triphenylene (TP). The resulting 2-Doctupolar cocrystalline lattice is proposed as a generic template toward multipolar crystallineengineering studies. X-ray diffraction data evidence parallel stacks with alternating verticallyoverlapping TNB and TP units, leading to a significant rs/pi.gif" BORDER=0 >-rs/pi.gif" BORDER=0 > intermolecular charge transferwhich cannot be accounted for by an oriented gas model.