论文标题
完全饱和的碳氢化合物作为光循环中心的宿主
Fully saturated hydrocarbons as hosts of optical cycling centers
论文作者
论文摘要
在被困原子或分子中设计封闭的激光诱导的光学循环跃迁可用于量子信息处理，精度测量和量子传感。具有此类封闭过渡的较大分子特别需要，因为它们扩展了此类系统的适用性范围。搜索具有强大光学循环中心的分子一直是一个挑战，需要超越反复试验的设计原则。在这里，为M-O-R的特定体系结构提出了两个设计原理，其中M是碱性地球金属自由基，R是配体：1）相当大的饱和碳氢化合物可以用作配体，R，由于具有实质性的同型同型lumumo间隙，可以包含循环过渡，因此很长一块R组是R组。 2）通过诱导电子绘制基团可以增强光循环跃迁的弗兰克 - 康登因子（FCF），只要它们不干扰M-O-R基序中的局部线性结构。考虑到这些工具，可以将较大的分子捕获并用作光学循环中心，有时比较小的分子具有更高的FCF。
Designing closed, laser-induced optical cycling transitions in trapped atoms or molecules is useful for quantum information processing, precision measurement, and quantum sensing. Larger molecules that feature such closed transitions are particularly desirable, as they extend the scope of applicability of such systems. The search for molecules with robust optically cycling centers has been a challenge, and requires design principles beyond trial-and-error. Here, two design principles are proposed for the particular architecture of M-O-R, where M is an alkaline earth metal radical, and R is a ligand: 1) Fairly large saturated hydrocarbons can serve as ligands, R, due to a substantial HOMO-LUMO gap that encloses the cycling transition, so long as the R group is rigid. 2) Electron-withdrawing groups, via induction, can enhance Franck-Condon factors (FCFs) of the optical cycling transition, as long as they do not disturb the locally linear structure in the M-O-R motif. With these tools in mind, larger molecules can be trapped and used as optical cycling centers, sometimes with higher FCFs than smaller molecules.
