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Lewis Acids and Bases02:33

Lewis Acids and Bases

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In 1923, G. N. Lewis proposed a generalized definition of acid-base behavior in which acids and bases are identified by their ability to accept or to donate a pair of electrons and form a coordinate covalent bond.
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The acid-base reaction class has been studied for quite some time. In 1680, Robert Boyle reported traits of acid solutions that included their ability to dissolve many substances, to change the colors of certain natural dyes, and to lose these traits after coming in contact with alkali (base) solutions. In the eighteenth century, it was recognized that acids have a sour taste, react with limestone to liberate a gaseous substance (now known to be CO2), and interact with alkalis to form neutral...
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Electron carriers can be thought of as electron shuttles. These compounds can easily accept electrons (i.e., be reduced) or lose them (i.e., be oxidized). They play an essential role in energy production because cellular respiration is contingent on the flow of electrons.
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The electron affinity (EA) is the energy change for adding an electron to a gaseous atom to form an anion (negative ion).
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Modular Donor-Acceptor Diradicaloids Based on an Electron Deficient N-Heteroacene Acceptor.

Tanner L Smith1, Zhendian Zhang1, Tanya A Balandin1

  • 1School of Chemistry and Biochemistry, School of Materials Science and Engineering, Center for Organic Photonics and Electronics, Georgia Institute of Technology, Atlanta, Georgia, USA.

Small (Weinheim an Der Bergstrasse, Germany)
|February 10, 2026
PubMed
Summary

Researchers synthesized novel diradicaloid molecules with tunable properties. These open-shell organic materials offer new possibilities for electronic and spin-based technologies by controlling electron spin interactions.

Keywords:
diradicaloiddonor‐acceptorelectronic structureopen‐shellorganic semiconductors

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Area of Science:

  • Organic electronics
  • Materials science
  • Quantum chemistry

Background:

  • Conjugated organic molecules with open-shell diradical character are crucial for understanding electron pairing and spin manipulation.
  • Existing materials often lack modularity, tunable diradical character, stability, and diverse functionalities.

Purpose of the Study:

  • To develop novel donor-acceptor-donor diradicaloids with enhanced properties.
  • To establish structure-property relationships for tuning electronic and spin characteristics.

Main Methods:

  • Facile synthesis of diradicaloids using a tetrachlorothiadiazolophenazine core and thiophene donors.
  • Characterization using Nuclear Magnetic Resonance (NMR) and Electron Paramagnetic Resonance (EPR) spectroscopies.
  • Theoretical investigations using long-range corrected Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory (TD-DFT).

Main Results:

  • Demonstrated facile synthesis of modular donor-acceptor-donor diradicaloids.
  • Correlated narrowing of singlet-triplet splitting (ΔEST) and π-conjugation extension with increased diradical character.
  • Showcased tunable structural, electronic, spin, magnetic, and transport properties.
  • Validated TD-DFT for predicting multireference electronic structure.

Conclusions:

  • The developed diradicaloids offer high modularity and tunable diradical character.
  • Insights enable the design of new open-shell materials with controlled optoelectronic and transport functionalities.
  • Facilitates manipulation of electronic structure, topology, and exchange interactions for advanced applications.