Local versus global aromaticity in azuliporphyrin and benziporphyrin derivatives

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F18%3A00106508" target="_blank" >RIV/00216224:14740/18:00106508 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1039/c8ob01672k" target="_blank" >http://dx.doi.org/10.1039/c8ob01672k</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/c8ob01672k" target="_blank" >10.1039/c8ob01672k</a>

Result language
angličtina
Original language name
Local versus global aromaticity in azuliporphyrin and benziporphyrin derivatives
Original language description
Carbaporphyrinoids afford fascinating examples of competition between local and global aromaticity in conjugated, polycyclic systems. Thus, whereas density functional theory calculations reveal only a modest effect of metal complexation on the current density profiles of true carbaporphyrins and azuliporphyrins, the impact is much greater for benziporphyrins, underscoring a strong competition between local and global aromaticity in the latter system. Furthermore, the calculations shed light on the remarkable efficacy of suitably placed electron-donating substituents on the benzene ring in boosting the global diatropic currents in a metallobenziporphyrin.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10401 - Organic chemistry

Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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