Parallel interactions of aromatic and heteroaromatic molecules
Апстракт
Parallel interactions of aromatic and heteroaromatic molecules are very important in chemistry and biology. In this review, recent findings on preferred geometries and interaction energies of these molecules are presented. Benzene and pyridine were used as model systems for studying aromatic and heteroaromatic molecules, respectively. Searches of Cambridge Structural Database show that both aromatic and heteroaromatic molecules prefer interacting at large horizontal displacements, even though previous calculations showed that stacking interactions (with offsets of about 1.5 angstrom) are the strongest. Calculations of interaction energies at large horizontal displacements revealed that the large portion of interaction energy is preserved even when two molecules do not overlap. These substantial energies, as well as the possibility of forming larger supramolecular structures, make parallel interactions at large horizontal displacements more frequent in crystal structures than stacking i...nteractions.
Кључне речи:
benzene / pyridine / noncovalent interactions / crystal structures / quantum chemical calculations / supramolecular structuresИзвор:
Hemijska industrija, 2016, 70, 6, 649-659Издавач:
- Assoc Chemical Engineers Serbia, Belgrade
Финансирање / пројекти:
- Нековалентне интеракције pi-система и њихова улога у молекулском препознавању (RS-MESTD-Basic Research (BR or ON)-172065)
DOI: 10.2298/HEMIND151009003M
ISSN: 0367-598X
WoS: 000392310700005
Scopus: 2-s2.0-85011816610
Колекције
Институција/група
Hemijski fakultet / Faculty of ChemistryTY - JOUR AU - Malenov, Dušan P. AU - Zarić, Snežana D. PY - 2016 UR - https://cherry.chem.bg.ac.rs/handle/123456789/2378 AB - Parallel interactions of aromatic and heteroaromatic molecules are very important in chemistry and biology. In this review, recent findings on preferred geometries and interaction energies of these molecules are presented. Benzene and pyridine were used as model systems for studying aromatic and heteroaromatic molecules, respectively. Searches of Cambridge Structural Database show that both aromatic and heteroaromatic molecules prefer interacting at large horizontal displacements, even though previous calculations showed that stacking interactions (with offsets of about 1.5 angstrom) are the strongest. Calculations of interaction energies at large horizontal displacements revealed that the large portion of interaction energy is preserved even when two molecules do not overlap. These substantial energies, as well as the possibility of forming larger supramolecular structures, make parallel interactions at large horizontal displacements more frequent in crystal structures than stacking interactions. PB - Assoc Chemical Engineers Serbia, Belgrade T2 - Hemijska industrija T1 - Parallel interactions of aromatic and heteroaromatic molecules VL - 70 IS - 6 SP - 649 EP - 659 DO - 10.2298/HEMIND151009003M ER -
@article{ author = "Malenov, Dušan P. and Zarić, Snežana D.", year = "2016", abstract = "Parallel interactions of aromatic and heteroaromatic molecules are very important in chemistry and biology. In this review, recent findings on preferred geometries and interaction energies of these molecules are presented. Benzene and pyridine were used as model systems for studying aromatic and heteroaromatic molecules, respectively. Searches of Cambridge Structural Database show that both aromatic and heteroaromatic molecules prefer interacting at large horizontal displacements, even though previous calculations showed that stacking interactions (with offsets of about 1.5 angstrom) are the strongest. Calculations of interaction energies at large horizontal displacements revealed that the large portion of interaction energy is preserved even when two molecules do not overlap. These substantial energies, as well as the possibility of forming larger supramolecular structures, make parallel interactions at large horizontal displacements more frequent in crystal structures than stacking interactions.", publisher = "Assoc Chemical Engineers Serbia, Belgrade", journal = "Hemijska industrija", title = "Parallel interactions of aromatic and heteroaromatic molecules", volume = "70", number = "6", pages = "649-659", doi = "10.2298/HEMIND151009003M" }
Malenov, D. P.,& Zarić, S. D.. (2016). Parallel interactions of aromatic and heteroaromatic molecules. in Hemijska industrija Assoc Chemical Engineers Serbia, Belgrade., 70(6), 649-659. https://doi.org/10.2298/HEMIND151009003M
Malenov DP, Zarić SD. Parallel interactions of aromatic and heteroaromatic molecules. in Hemijska industrija. 2016;70(6):649-659. doi:10.2298/HEMIND151009003M .
Malenov, Dušan P., Zarić, Snežana D., "Parallel interactions of aromatic and heteroaromatic molecules" in Hemijska industrija, 70, no. 6 (2016):649-659, https://doi.org/10.2298/HEMIND151009003M . .