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Local versus global aromaticity in azuliporphyrin and benziporphyrin derivatives

The result's identifiers

  • 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>

Alternative languages

  • 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

  • Czech description

Classification

  • 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

Result continuities

  • 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)

Others

  • Publication year

    2018

  • Confidentiality

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

Data specific for result type

  • Name of the periodical

    ORGANIC &amp; BIOMOLECULAR CHEMISTRY

  • ISSN

    1477-0520

  • e-ISSN

  • Volume of the periodical

    16

  • Issue of the periodical within the volume

    42

  • Country of publishing house

    GB - UNITED KINGDOM

  • Number of pages

    7

  • Pages from-to

    7964-7970

  • UT code for WoS article

    000448947100026

  • EID of the result in the Scopus database

    2-s2.0-85055665501