Non-Condon Effects in the Resonance Hyper-Raman Scattering of Chalcogen-Substituted Rhodamine Derivatives
Non-Condon Effects in the Resonance Hyper-Raman Scattering of Chalcogen-Substituted Rhodamine Derivatives
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DOI：
10.1021/acs.jpcc.8b07507
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发表时间：
2018-10
期刊：
影响因子：
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通讯作者：
Jacob E. Olson;Alicia Tripp;Michelle K. Linder;Zhongwei Hu;M. Detty;L. Jensen;J. Camden
中科院分区：
文献类型：
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作者：
Jacob E. Olson;Alicia Tripp;Michelle K. Linder;Zhongwei Hu;M. Detty;L. Jensen;J. Camden
具有强双光子响应的分子由于其在双光子成像、全光开关和能量上转换等方面的应用而受到人们的广泛关注。四甲基硫族rosamines的表面增强超拉曼散射（SEHRS）采取的共振和非共振，并与含时密度泛函理论计算。具体而言，跟踪SEHRS光谱的变化作为结构几何形状的函数，因为较大的硫族原子取代的氧杂蒽环引起的扰动。在这里，我们表明，光谱的变化和非康登效应可以通过跟踪振动的正常模式和振动引起的最高占据分子轨道的变化来理解。随着系统的到位，探索结构几何形状和非线性性能之间的关系，各种罗丹明衍生物的特点可以作为一种手段，以优化设计一系列的双光子明亮的化合物。
Molecules with a strong two-photon response have gained significant interest because of their applications in two-photon imaging, all-optical switching, and energy up-conversion. The surface-enhanced hyper-Raman scattering (SEHRS) of tetramethyl chalcogenorosamines are taken on- and off-resonance and compared to time-dependent density functional theory calculations. Specifically, changes in the SEHRS spectra are tracked as a function of structural geometry because of perturbations induced by larger chalcogen atom substitutions to the xanthene ring. Here we show that the spectral changes and non-Condon effects can be understood by tracking the vibrational normal modes and the vibrationally induced changes to the highest occupied molecular orbitals. With a system in place to explore the relationship between structural geometry and nonlinear properties, various rhodamine derivatives can be characterized as a means to optimally design a series of two-photon bright compounds.