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Probing the REDOX effect of helical tetraspirobenzene on nonlinear optical properties.
- Source :
- Molecular Physics; May2024, Vol. 122 Issue 9, p1-7, 7p
- Publication Year :
- 2024
-
Abstract
- The helical structure is a classical framework to design high-performance organic electro-optical materials. In this work, the structure-property's relationships of helical tetraspirobenzene (1) and its oxidation (1<superscript>2+</superscript>) and reduction (1<superscript>2–</superscript>) products are explored. The results show that the redox brings some distinctive changes in their geometric structure and electronic property, which regulate the first hyperpolarisability (β<subscript>tot</subscript>). Among these structures, the 1<superscript>2–</superscript> has the largest β<subscript>tot</subscript> value of 4.2 × 10<superscript>4</superscript>, which is greatly larger than 2.0 × 10<superscript>2</superscript> a.u. of. 1<superscript>2+</superscript>. Therefore, the reduction effect is more obvious than the oxidation effect. Furthermore, the UV-Vis absorption spectrum also proves this phenomenon: the oxidation product has a new red-shifted absorption peak (571 nm) and the reduction product has two new red-shifted absorption peaks (577 and 797 nm). We hope the present work can provide theoretical guidance for the search for high-performance nonlinear optical materials by using the redox effect. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00268976
- Volume :
- 122
- Issue :
- 9
- Database :
- Complementary Index
- Journal :
- Molecular Physics
- Publication Type :
- Academic Journal
- Accession number :
- 177394876
- Full Text :
- https://doi.org/10.1080/00268976.2023.2268745