A prerequisite for the design and synthesis of materials with nonlinear optical (NLO) properties is a molecular building block that can be incorporated into a solid in an appropriately functionalized and oriented manner. To obtain new, single-crystal materials that exhibit electrooptical (EO) effects more pronounced than those of the currently known organic NLO crystals,[' -41 stable molecules showing hyperpolarizabilities B, of up to 10000 x m 4 V 1 and. having dipole moments that can be aligned in a parallel manner within the solid are required. While a large number of target compounds can be envisioned based on these known criteria,I3. ' 1 the probability is low that during the crystallization of pure NLO compounds a crystal structure with a parallel arrangement of the b, axes is realized (about 25% for an acentric space group, less than 5 % for a nearly parallel Hence, the question of alternatives for the formation of crystalline and structurally optimized EO materials arises. In this study it is shown that perhydrophenylene (PHTP)I6] forms inclusion compounds with electronically optimized NLO species, in which the guest molecules can attain a parallel arrangement; materials with polar properties on a macroscopic level are formed about 90% of the time.

No abstract

No abstract

1996 inclusion compounds inclusion compounds O 0400 46 -073 Crystallization of Supramolecular Materials: Perhydrotriphenylene ( PHTP) Inclusion Compounds with Nonlinear Optical Properties. -A linear arrangement of guest molecules (20 examples), e.g. (I)-(V), in PHTP inclusion compounds can lead to supramolecular materials with optimized physical properties. Through cocrystallization, different guests displaying pronounced nonlinear optical properties are incorporated within the channels of the host species to give a high yield of polar single crystals. -(HOSS, R.; KOENIG, O.; KRAMER-HOSS, V.; BERGER, U.; ROGIN, P.; HULLIGER,