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Parallel interactions of aromatic and heteroaromatic molecules

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2016
2376.pdf (1.378Mb)
Authors
Malenov, Dušan P.
Zarić, Snežana D.
Article (Published version)
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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 i...nteractions.

Keywords:
benzene / pyridine / noncovalent interactions / crystal structures / quantum chemical calculations / supramolecular structures
Source:
Hemijska industrija, 2016, 70, 6, 649-659
Publisher:
  • Assoc Chemical Engineers Serbia, Belgrade
Funding / projects:
  • Noncovalent interactions of pi-systems and their role in molecular recognition (RS-172065)

DOI: 10.2298/HEMIND151009003M

ISSN: 0367-598X

WoS: 000392310700005

Scopus: 2-s2.0-85011816610
[ Google Scholar ]
2
2
URI
https://cherry.chem.bg.ac.rs/handle/123456789/2378
Collections
  • Publikacije
Institution/Community
Hemijski fakultet
TY  - 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
UR  - Kon_3194
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",
url = "Kon_3194"
}
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
Kon_3194
Malenov DP, Zarić SD. Parallel interactions of aromatic and heteroaromatic molecules. in Hemijska industrija. 2016;70(6):649-659.
doi:10.2298/HEMIND151009003M
Kon_3194 .
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 .,
Kon_3194 .

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