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When selenoureas and thioureas interact with halogen-containing species, selenium/sulphur can act as a donor of the σ-hole interaction while a halogen atom – as an acceptor, and vice versa. In both cases, the nature of the halogen atom greatly affects the strength of the interaction: the interaction strength increases with the increasing size and polarisability of the halogen. Consequently, iodine results in the formation of stronger Ch⋅⋅⋅Hal bonds compared to other halogens.

The nature of the chalcogen atom has an impact on the σ-hole interaction as well, which is reflected in the composition of the co-crystals. The larger size and higher polarisability of selenium compared to sulphur possibly predispose to the formation of strong Se–Se bonds to a greater extent than to the formation of S–S bonds. This leads to an assumption that the nature of the chalcogen atom does not influence the strength of the σ-hole interaction to the same extent as the nature of the halogen in the described interactions.

The results presented in the dissertation are not only interesting from a scientific point of view, but can also be of potential practical importance. The S⋅⋅⋅I and Se⋅⋅⋅I interactions play an important role in materials chemistry and pharmacology due to their anti-bacterial and anti-thyroid activity.

Maria Chernysheva’s dissertation is published in JYU Dissertations series, number 370, Ģ��ֱ��, 2021.
ISSN 2489-9003; 370, ISBN 978-951-39-8595-0,
Link to publication:

Maria Chernysheva was born in 1988 in Moscow, Russia. She received a B.Sc. degree in materials science and technology of new materials at Lomonosov Moscow State University of Fine Chemical Technology, Russia, in 2009. Later, in 2012 Chernysheva received a double M.Sc. degree in materials chemistry at the University of Eastern Finland, Finland, and in chemistry and technology of new materials at Lomonosov Moscow State University of Fine Chemical Technology, Russia.

M.Sc. Maria Chernysheva defends her doctoral dissertation "σ-hole interactions: the effect of the donors and acceptors nature in selenoureas, thioureas, halogenated species, substituted benzenes, and their adducts" in inorganic and analytical chemistry on the 29th of April 2021 at 12-16. Opponent is Professor Pierangelo Metrangolo (Politecnico di Milano, Italy) and Custos is Professor Matti Haukka (Ģ��ֱ��, Finland). 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 40 805 4666