Dual Breaking of Molecular Orbitals and Spatial Symmetry in an Optically Controlled Ferroelectric,Advanced Materials

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Dual Breaking of Molecular Orbitals and Spatial Symmetry in an Optically Controlled Ferroelectric
Advanced Materials ( IF 27.4 ) Pub Date : 2023-08-22 , DOI: 10.1002/adma.202305471
Wei-Qiang Liao ₁ , Yu-Ling Zeng ₁ , Yuan-Yuan Tang ₁ , Yu-Qiu Xu ₁ , Xiao-Yun Huang ₁ , Hang Yu ₁ , Hui-Peng Lv ₁ , Xiao-Gang Chen ₁ , Ren-Gen Xiong ₁

Affiliation

As particles carry quantified energy, photon radiation enables orbital transitions of energy levels, leading to changes in the spin state of electrons. The resulting switchable structural bistability may bring a new paradigm for manipulating ferroelectric polarization. However, the studies on molecular orbital breaking in the ferroelectric field remain blank. Here, for the first time, a new mechanism of ferroelectrics—dual breaking of molecular orbitals and spatial symmetry, demonstrated in a photochromic organic crystal with light-induced polarization switching, is formally proposed. By alternating the ultraviolet/visible light irradiation, the states of electron spin and the radial distribution p atomic orbitals experience a change, showing a reversible switch from “shoulder-to-shoulder” form to a “head-to-head” form. This reflects a reversible conversion between π and σ bonds, which induces and couples with the variation of spatial symmetry. The intersection of spatial symmetry breaking and molecular orbital breaking in ferroelectrics present in this work will be more conducive to data encryption and anticounterfeiting.

中文翻译：

光控铁电体中分子轨道的双重破缺和空间对称性

由于粒子携带量化的能量，光子辐射能够实现能级的轨道跃迁，从而导致电子自旋状态的变化。由此产生的可切换结构双稳态可能会带来操纵铁电极化的新范例。然而，铁电场中分子轨道断裂的研究仍属空白。在这里，首次正式提出了铁电体的新机制——分子轨道和空间对称性的双重破缺，并在具有光诱导偏振切换的光致变色有机晶体中得到了证明。通过紫外/可见光交替照射，电子自旋状态和p原子轨道径向分布发生变化，呈现出从“肩并肩”形式到“头对头”形式的可逆转换。这反映了π键和σ键之间的可逆转换，从而诱发并耦合了空间对称性的变化。这项工作中呈现的铁电体空间对称性破缺和分子轨道破缺的交叉点将更有利于数据加密和防伪。

更新日期：2023-08-22

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