Tehlar Andres, Casanova Jakob T, Dnestryan Andrey, Jensen Frank, Madsen Lars Bojer, Tolstikhin Oleg I, Wörner Hans Jakob
Laboratory of Physical Chemistry, ETH Zürich, 8093 Zürich, Switzerland.
Department of Chemistry, Aarhus University, 8000 Aarhus C, Denmark.
Struct Dyn. 2024 Feb 29;11(1):014304. doi: 10.1063/4.0000227. eCollection 2024 Jan.
High-harmonic spectroscopy is an all-optical technique with inherent attosecond temporal resolution that has been successfully employed to reconstruct charge migration, electron-tunneling dynamics, and conical-intersection dynamics. Here, we demonstrate the extension of two key components of high-harmonic spectroscopy, i.e., impulsive alignment and measurements with multiple driving wavelengths to 1,3-cyclohexadiene and benzene. In the case of 1,3-cyclohexadiene, we find that the temporal sequence of maximal and minimal emitted high-harmonic intensities as a function of the delay between the alignment and probe pulses inverts between 25 and 30 eV and again between 35 and 40 eV when an 800-nm driver is used, but no inversions are observed with a 1420-nm driver. This observation is explained by the wavelength-dependent interference of emission from multiple molecular orbitals (HOMO to HOMO-3), as demonstrated by calculations based on the weak-field asymptotic theory and accurate photorecombination matrix elements. These results indicate that attosecond charge migration takes place in the 1,3-cyclohexadiene cation and can potentially be reconstructed with the help of additional measurements. Our experiments also demonstrate a pathway toward studying photochemical reactions in the molecular frame of 1,3-cyclohexadiene.
高谐波光谱学是一种具有阿秒级固有时间分辨率的全光学技术,已成功用于重建电荷迁移、电子隧穿动力学和锥形交叉动力学。在此,我们展示了高谐波光谱学的两个关键组件的扩展,即脉冲取向和多驱动波长测量,应用于1,3 - 环己二烯和苯。对于1,3 - 环己二烯,我们发现当使用800纳米驱动光源时,作为取向脉冲和探测脉冲之间延迟函数的最大和最小发射高谐波强度的时间序列在25至30电子伏特之间以及35至40电子伏特之间发生反转,但使用1420纳米驱动光源时未观察到反转。基于弱场渐近理论和精确光复合矩阵元素的计算表明,这一观察结果是由多个分子轨道(从最高占据分子轨道到最高占据分子轨道 - 3)发射的波长依赖性干涉所解释的。这些结果表明,阿秒级电荷迁移发生在1,3 - 环己二烯阳离子中,并且借助额外测量有可能重建其过程。我们的实验还展示了一条在1,3 - 环己二烯分子框架内研究光化学反应的途径。