论文标题
极地分子中明显强的磁反应
Remarkably strong magnetic response in molecules with polar groups
论文作者
论文摘要
在一个多世纪以来,由于电磁主义的对称性,电力和磁性始终表现出密不可分的联系。在界面上,具有极性电荷的极性基团是必不可少的,它们与其他极性电荷/外部电荷/外部电场直接相互作用。但是,没有关于这些极性基团的相应磁性特性的报告。显然,这样的不对称性,即只有极性群体与电荷之间的相互作用,才超出了边界。在这里,我们表明那些具有相当极基团的分子,例如乙酸纤维素(CA)和其他具有不同极性基团的纤维素衍生物,可以具有强烈的磁反应,表明它们是强烈的顺磁性。密度功能理论(DFT)计算表明,极性大大减少了没有净旋转(单旋旋转)的状态的激发能量,并以净自旋(三重态)降低了状态,从而使极地群体上存在相当大的磁矩。我们注意到,这些分子中的疏水基没有磁性矩,但是它们使分子聚集起来,以充分极性磁矩的磁效应,从而使这些磁矩可以诱导强的磁磁性。我们的观察结果表明,在界面处的电和磁性之间具有不可隔离的联系,对对称性的恢复。考虑到许多极性材料是生物材料,药物材料,化学原料,甚至是农业生产中必不可少的激素,这些发现对生物系统中磁相互作用以及其他磁性应用的作用留下了许多想象。
For more than a century, electricity and magnetism have been believed to always exhibit inextricable link due to the symmetry in electromagnetism. At the interface, polar groups that have polar charges, are indispensable to be considered, which interact directly with other polar charges/external charges/external electric fields. However, there is no report on the corresponding magnetic properties on these polar groups. Clearly, such asymmetry, that is, only the interaction between the polar groups and charges, is out of bounds. Here we show that those molecules with considerable polar groups, such as cellulose acetate (CA) and other cellulose derivatives with different polar groups, can have strong magnetic response, indicating that they are strongly paramagnetic. Density functional theory (DFT) calculation shows that the polarity greatly reduces the excitation energy from the state without net spin (singlet) to the state with net spin (triplet), making the considerable existence of magnetic moments on the polar groups. We note that the hydrophobic groups in these molecules have no magnetic moments, however, they make the molecules aggregate to amply the magnetic effect of the magnetic moments in the polar groups, so that these magnetic moments can induce the strong paramagnetism. Our observations suggest a recovery of the symmetry with inextricable link between the electricity and magnetism at the interface. The findings leave many imaginations of the role of the magnetic interaction in biological systems as well as other magnetic applications considering that many of those polar materials are biological materials, pharmaceutical materials, chemical raw materials, and even an essential hormone in agricultural production.