Getting stronger together: exo-substituted heteroboranes and their adducts as suitable motifs for exploration of non-covalent interactions
Provider: Grantová agentura ČR
Programme: Standardní projekty
Implementation period: 01.01.17 - 31.12.19
Workplace:
Fakulta chemicko-technologická - KOAnCh/věda z MŠMT
Investigator: Růžičková Zdeňka
Description:
Heteroboranes represent a relatively vast area of inorganic chemistry. Crystals of the so-called exo-substituted heteroboranes have been known for decades but the examination of their packing forces is underresearched. However, it is becoming evident that a plethora of nonclassical noncovalent interactions play a dominant role. A recent example from our laboratories consists in discovering of a new ?-hole S?? bonding in the crystal structure of phenyl substituted thiaborane. We will continue in these efforts systematically by the concerted use of the synthetic and computational approaches. Hence, various exo-substituted heteroborane cages (involving C, S, Se, P, As) will be screened using computations to clasify various noncovalent interactions. The selected candidates will be synthesized and their crystal structures determined. The understanding of the crystal packing will come from the theoretical studies of pair interactions. We will also focus on examination of interactions between various heteroboranes and Lewis bases, the resulting adducts will be examined in the same manner.
Heteroboranes represent a relatively vast area of inorganic chemistry. Crystals of the so-called exo-substituted heteroboranes have been known for decades but the examination of their packing forces is underresearched. However, it is becoming evident that a plethora of nonclassical noncovalent interactions play a dominant role. A recent example from our laboratories consists in discovering of a new ?-hole S?? bonding in the crystal structure of phenyl substituted thiaborane. We will continue in these efforts systematically by the concerted use of the synthetic and computational approaches. Hence, various exo-substituted heteroborane cages (involving C, S, Se, P, As) will be screened using computations to clasify various noncovalent interactions. The selected candidates will be synthesized and their crystal structures determined. The understanding of the crystal packing will come from the theoretical studies of pair interactions. We will also focus on examination of interactions between various heteroboranes and Lewis bases, the resulting adducts will be examined in the same manner.
