Directly linked metalloporphyrins: a quest for bio-inspired materials

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F20%3A00540207" target="_blank" >RIV/61388963:_____/20:00540207 - isvavai.cz</a>

Result on the web

<a href="https://doi.org/10.1039/D0MA00461H" target="_blank" >https://doi.org/10.1039/D0MA00461H</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d0ma00461h" target="_blank" >10.1039/d0ma00461h</a>

Result language

angličtina

Original language name

Directly linked metalloporphyrins: a quest for bio-inspired materials

Original language description

The directly-linked iron–diporphyrin complexes are appealing candidates and fundamental precursors for an extended metalloporphyrin array that can potentially mimic the biological design of energy-harvesting materials. This encouraged us to appraise the layout for the modular fusion of two iron-porphyrin units. Herein, DFT-based calculations suggest that the electronic environment of diporphyrin systems can be tuned according to the topological attachment between the porphyrin units. Subsequently, a gradual increase in the electronic interaction between the constituent porphyrin units triggers a decrease in the HOMO–LUMO gap. This is essential to achieve higher electric conductivity. The spin-polarized electronic transmission is another interesting aspect of these iron–diporphyrin systems and is promising for spintronic applications. The successive theoretical interpretation of the existence of two-dimensional (2D) metalloporphyrin arrays could be the route to design a graphene analog of the covalent metal–organic framework.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10403 - Physical chemistry

Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2020

Confidentiality

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

Name of the periodical

Materials Advances

ISSN

2633-5409

e-ISSN

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Volume of the periodical

1

Issue of the periodical within the volume

6

Country of publishing house

GB - UNITED KINGDOM

Number of pages

14

Pages from-to

1895-1908

UT code for WoS article

000613922600032

EID of the result in the Scopus database

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