4.5.2021 Noncovalent interactions as a tool for supramolecular self-assembly of metallopolymers (Bulatova)

Noncovalent interactions (NCIs) are weaker comparing to covalent ones that involve electron sharing. That “weakness” is usually overcome by the cooperative effect of many NCIs within the same system. NCIs are nowadays widely applied in crystal engineering to create novel materials, such as drugs, polymers, nanomaterials. In her doctoral thesis, Margarita Bulatova was creating novel metallopolymers bound via NCIS and was studying the nature of such interactions to improve the predictability of the NCIs in future applications
Published
4.5.2021

In her Ph.D. studies Margarita Bulatova applied a “molecule → noncovalent interaction → metallopolymer” strategy to build polymeric compounds with zero to three dimensional (0-3D) geometries. This was done by experimental and theoretical studies. As the strongest noncovalent interaction in the synthesized metallopolymeric systems, halogen bonding is the main self-assembly force. Fine-tuning of the polymer’s geometry just with the change of the halide expands the possibilities for future application of such systems.

Another type of NCIs with a strong influence on the geometry of the final product is metal-involved interaction. Although it was found to be weaker than halogen bonding it still played an important role in the structural organization. Interestingly, in one of the systems metal-involved interaction acted as “molecular scissors”, cutting a 1D polymeric chain out of a 3D structure of potassium iodide.

The power of many

Almost always there is not just one, but many NCIs participating in the structural stabilization. These interactions may complement each other and narrate the structural growth in different dimensions. For example, one NCI will be responsible for one dimension, while the other will create a second one. Halogen bonding, hydrogen bonding, and π–stacking can all work together to create a novel structure.

In her studies, Bulatova has not only synthesized novel metallopolymers using NCIs but also studied the nature of such interactions using modern computational techniques. This is crucial for real-life application. The predictability of NCIs improves with the deep understanding of the fundamental processes behind the interaction.

“Noncovalent interactions represent a powerful force in modern synthetic chemistry to create useful materials”, Bulatova concludes.

The dissertation is published in JYU Dissertations series, number 377, Ģֱ, 2021.
URN:ISBN: 978-951-39-8630-8, ISSN 2489-9003
Link to the publication: 

M.Sc. Margarita Bulatova defends her doctoral dissertation " Noncovalent interactions as a tool for supramolecular self-assembly of metallopolymers" on Tuesday 4th of May 2021 starting at 12. Opponent Professor Catharine Esterhuysen (Stellenbosch University, South Africa) and Custos Professor Kari Rissanen (Ģֱ). The doctoral dissertation is held in English.

The audience can follow the dissertation online.
Link to the Zoom Webinar event (Zoom application or Google Chrome web browser recommended):

Phone number to which the audience can present possible additional questions at the end of the event (to the custos): +358 505623721