Organoelement Compounds Crystallized In Situ: Weak Intermolecular Interactions and Lattice Energies
Source abstract
Abstract
The in situ crystallization is the most suitable way to obtain a crystal of a low-melting-point compound to determine its structure via X-Ray diffraction. Herein, the intermolecular interactions and some crystal properties of low-melting-point organoelement compounds (lattice energies, melting points, etc.) are discussed. The discussed structures were divided into two groups: organoelement compounds of groups 13–16 and organofluorine compounds with other halogen atoms (Cl, Br, I). The most of intermolecular interactions in the first group are represented by weak hydrogen bonds and H···H interactions. The crystal packing of the second group of compounds is stabilized by various interactions between halogen atoms in conjunction with hydrogen bonding and stacking interactions. The data on intermolecular interactions from the analysis of crystal packing allowed us to obtain correlations between lattice energies and Hirshfeld molecular surface areas, molecular volumes, and melting points.
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Research context
OpenAlex topics: Crystallography and molecular interactions · Chemical Thermodynamics and Molecular Structure · Machine Learning in Materials Science
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Science, 28 Vavilova str., Moscow 119991, Russia
Funding
Российский Фонд Фундаментальных Исследований (РФФИ) · Russian Science Foundation
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