On the Importance and Origin of Aromatic Interactions in Chemistry and Biodisciplines

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F13%3A33148163" target="_blank" >RIV/61989592:15310/13:33148163 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61388963:_____/13:00393877

Výsledek na webu

<a href="http://pubs.acs.org/doi/pdf/10.1021/ar300083h" target="_blank" >http://pubs.acs.org/doi/pdf/10.1021/ar300083h</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/ar300083h" target="_blank" >10.1021/ar300083h</a>

Jazyk výsledku

angličtina

Název v původním jazyce

On the Importance and Origin of Aromatic Interactions in Chemistry and Biodisciplines

Popis výsledku v původním jazyce

Aromatic systems contain both sigma- and pi-electrons, which in turn constitute sigma-and pi-molecular orbitals (MOs). In discussing the properties of these systems, researchers typically refer to the highest occupied and lowest unoccupied MOs, which arepi MOs. The characteristic properties of aromatic systems, such as their low ionization potentials and electron affinities, high polarizabilities and stabilities, and small band gaps (in spectroscopy called the N -} V-1 space), can easily be explained based on their electronic structure. These one-electron properties point to characteristic features of how aromatic systems interact with each other. Unlike hydrogen bonding systems, which primarily interact through electrostatic forces, complexes containing aromatic systems, especially aromatic stacked pairs, are predominantly stabilized by dispersion attraction. The stabilization energy in the benzene dimer is rather small (similar to 2.5 kcal/mol) but strengthens with heteroatom substi

Název v anglickém jazyce

On the Importance and Origin of Aromatic Interactions in Chemistry and Biodisciplines

Popis výsledku anglicky

Aromatic systems contain both sigma- and pi-electrons, which in turn constitute sigma-and pi-molecular orbitals (MOs). In discussing the properties of these systems, researchers typically refer to the highest occupied and lowest unoccupied MOs, which arepi MOs. The characteristic properties of aromatic systems, such as their low ionization potentials and electron affinities, high polarizabilities and stabilities, and small band gaps (in spectroscopy called the N -} V-1 space), can easily be explained based on their electronic structure. These one-electron properties point to characteristic features of how aromatic systems interact with each other. Unlike hydrogen bonding systems, which primarily interact through electrostatic forces, complexes containing aromatic systems, especially aromatic stacked pairs, are predominantly stabilized by dispersion attraction. The stabilization energy in the benzene dimer is rather small (similar to 2.5 kcal/mol) but strengthens with heteroatom substi

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2013

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Accounts of Chemical Research

ISSN

0001-4842

e-ISSN

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Svazek periodika

46

Číslo periodika v rámci svazku

4

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

927-936

Kód UT WoS článku

000318060000007

EID výsledku v databázi Scopus

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