Engineering Solid-State Materials. Strategies for Modeling and Packing Control of Molecular Assemblies into 3-D Networks
Abstract
The crystal structure and properties of a number of urea cocrystals are studied with regard to symmetry of the hydrogen-bonded molecular assemblies. The logical consequences of hydrogen bonding interactions are followed step-by- step. The problems of aggregate formation, nucleation, and crystal growth are also elucidated. Endeavor is made to envisage the 2-D and 3-D hydrogen bond network in a manageable way by exploiting graph set short hand. Strategies of how to control the symmetry of molecular packing are still to be elaborated. In our strategy, the programmed self-assembly has been based on the principle of molecular recognition of self- and hetero-complementary functional groups. However, the main focus for pre-organizational control has been put on the two- fold axis estimator of the urea molecule.
Document Details
- Document Type
- Technical Report
- Publication Date
- Apr 22, 1993
- Accession Number
- ADA265291
Entities
People
- M. C. Etter
- M. D. Ward
- V. Videnova-adrabinska
Organizations
- University of Minnesota