The crystallization of polar, channel‐type inclusion compounds: Property‐directed superamolecular synthesis

Abstract

How can the efficiency of formation of polar materials be improved? The work presented ehre makes use of the concept of supramolecular synthons, resulting in an inclusion formation approach that produces a nearly four times higher yield of polar crystal structures than the crystallization of dipolar molecules alone. The xample of co‐crystallization of racemic all‐trans perhydrotriphenylene (PHTP) with linear acceptors or donors is analyzed, and it is suggested that thie “Property‐directed” synthesis has a potentially high degree of predictability.

Polarity of Organic Supramolecular Materials: A Tunable Crystal Property

“…If not hindered by the applied growth technique, we will obtain bipolar crystals (32). Within two macrodomains, constant but opposing polarity is evolving.…”

Universality behaviour for polarity formation in channel-type inclusion compounds

“…Taking advantage of fundamental knowledge on growth induced polarity formation [9][10][11] we can assume a time-homogeneous Markov chain description [12] being particularly valid in the case of lateral guest-guest interactions in the order of a small perturbation [13]. In case lateral interactions between channels become more significant, probabilities describing the step-by-step growth of polarity (X net ) become themselves dependent on the local level of polarity as growth goes on.…”

Local Structural Aspects of One-Dimensional Solid Inclusion Compounds

“…This approach may now be used as a predictive strategy in the design of tunnel inclusion compounds for applications in SHG and other second-order non-linear optical properties. At the same time as this research, other strategies in this field have also been investigated [78,79]. …”