Abstract
In the publication, a number of intermolecular factors associated with hydrogen bonded complexes were described. Those were discussed in the light of substituent electronic effect and steric hindrance, electron intra- and intermolecular repulsion and conformational equilibrium. The intermolecular forces that might be used in the design of molecular aggregates were discussed in the light of the hydrogen bonding energy, their order of appearance and the existence of secondary interactions. Also, the competition between intramolecular hydrogen bonding that stabilizes the respective rotamer and the intermolecular hydrogen bonding leading to the association of molecules were exemplified. Finally, the examples of molecules in which all effects are present and discussed.
Keywords: Hydrogen bonding, steric effects, substituent effect, conformational equilibrium, supramolecular chemistry.
Graphical Abstract
Call for Papers in Thematic Issues
Advances of Heterocyclic Chemistry with Pesticide Activity
Global food safety and security will continue to be a global concern for the next 50 years and beyond. Plant diseases have had a significant impact on food safety and security throughout the entire food chain, from primary production to consumption. While conventional chemical pesticides have been traditionally used for ...read more
Calculation design of covalent/metal organic framework based catalysts
This research area combines theoretical computation and screening with machine learning for the design of covalent/metal organic framework-based catalysts, bridging the disciplines of organic chemistry, physical chemistry, computational chemistry, materials science, and machine learning. It covers several critical aspects: designing and synthesizing organic catalysts for improved performance, applying computational methods ...read more
Carbohydrates conversion in biofuels and bioproducts
Biomass pretreatment, hydrolysis, and saccharification of carbohydrates, and sugars bioconversion in biofuels and bioproducts within a biorefinery framework. Carbohydrates derived from woody biomass, agricultural wastes, algae, sewage sludge, or any other lignocellulosic feedstock are included in this issue. Simulation, techno-economic analysis, and life cycle analysis of a biorefinery process are ...read more
Catalytic C-H bond activation as a tool for functionalization of heterocycles
The major topic is the functionalization of heterocycles through catalyzed C-H bond activation. The strategies based on C-H activation not only provide straightforward formation of C-C or C-X bonds but, more importantly, allow for the avoidance of pre-functionalization of one or two of the cross-coupling partners. The beneficial impact of ...read more
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