Moitra Torsha, Konecny Lukas, Kadek Marius, Neufeld Ofer, Rubio Angel, Repisky Michal
Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT The Arctic University of Norway, 9037 Tromsø, Norway.
Department of Physical and Theoretical Chemistry, Faculty of Natural Sciences, Comenius University, 84215 Bratislava, Slovakia.
J Phys Chem Lett. 2025 Sep 4;16(35):9210-9216. doi: 10.1021/acs.jpclett.5c01808. Epub 2025 Aug 28.
Chiral systems exhibit unique properties traditionally linked to their asymmetric spatial arrangement. Recently, multiple laser pulses were shown to induce purely electronic chiral states without altering the nuclear configuration. Here, we propose and numerically demonstrate a simpler realization of light-induced electronic chirality that is long-lived and occurs well before the onset of nuclear motion and decoherence. A single monochromatic circularly polarized laser pulse is shown to induce electronic chiral currents in an oriented achiral molecule. Using state-of-the-art ab initio theory, we analyze this effect and relate the chiral currents to induced magnetic dipole moments, detectable via attosecond time-resolved electronic circular dichroism (TR-ECD) spectroscopy, also known as transient absorption ECD. The resulting chiral electronic wavepacket oscillates rapidly in handedness at harmonics of the pump laser's carrier frequency, and the currents persist after the pulse ends. We establish a chiral molecular-current analogue to high harmonic generation and demonstrate attosecond transient chirality control with potential impact on spintronics and reaction dynamics.
手性系统展现出传统上与其不对称空间排列相关的独特性质。最近,已表明多个激光脉冲能够诱导出纯电子手性态,而不改变核构型。在此,我们提出并通过数值证明了一种更简单的光致电子手性实现方式,其具有长寿命,且在核运动和退相干开始之前就已出现。单个单色圆偏振激光脉冲被证明能在取向的非手性分子中诱导出电子手性电流。利用最先进的从头算理论,我们分析了这种效应,并将手性电流与诱导磁偶极矩联系起来,可通过阿秒时间分辨电子圆二色性(TR-ECD)光谱检测到,也称为瞬态吸收ECD。所产生的手性电子波包在泵浦激光载波频率的谐波处,其手性快速振荡,并且电流在脉冲结束后仍然存在。我们建立了一个与高次谐波产生类似的手性分子电流模型,并展示了阿秒瞬态手性控制,这对自旋电子学和反应动力学可能产生影响。