Niels Damrauer

利用形光场和分子结构研究电子转移和多电子化学的光化学控制

Research in my group involves a multifaceted approach that combines state of the art physical techniques, synthetic methodologies, and theoretical tools. 博彩平台推荐提出和回答的化学问题主要是在物理无机化学的保护伞下，重点是电子转移控制, solar energy conversion, bioenergetic conversion, photocatalysis, and multielectron chemistry.

其中一个重要的物理工具——自适应飞秒脉冲整形——是激光光谱学的一个强大的最新发展. 它的重要性源于自适应学习过程的使用，该过程允许对复杂系统进行控制和研究. 博彩平台推荐的自适应控制研究的出发点是研究形状相干光场是否可以改变模型和生物系统中电子转移的主动机制, thus, controlling electron transfer rates, direction, and multi-electron transformations.

在博彩平台推荐的实验室中建立的合成基础设施使博彩平台推荐能够提出不依赖于自适应技术的光化学反应控制的其他问题. 其中一个问题集中在如何利用配位复合物中的激发态运动，以一种随时间变化的方式来调节电子供体和电子受体之间的耦合程度.

• Sartor, S. M.; Lattke, Y. M.; McCarthy, B. G.; Miyake, G. M.; Damrauer, N. H.; "Effects of Naphthyl Connectivity on the Photophysics of Compact Organic Charge-Transfer Photoredox Catalysts" Journal of Physical Chemistry A 2019, 123, 4727-4736 http://dx.doi.org/10.1021/acs.jpca.9b03286
• Gilligan, A. T.; Miller, E. G.; Sammakia, T.; Damrauer, N. H.; "Using Structurally Well-Defined Norbornyl-Bridged Acene Dimers to Map a Mechanistic Landscape for Correlated Triplet Formation in Singlet Fission" Journal of the American Chemical Society 2019, 141, 5961–5971 http://dx.doi.org/10.1021/jacs.9b00904
• Pearce, O. M.; Duncan, J. S.; Damrauer, N. H.; Dukovic, G.; "Ultrafast Hole Transfer from CdS Quantum Dots to a Water Oxidation Catalyst" The Journal of Physical Chemistry C 2018, 122, 17559-17565 http://dx.doi.org/10.1021/acs.jpcc.8b06237
• Sartor, S. M.; McCarthy, B. G.; Pearson, R. M.; Miyake, G. M.; Damrauer, N. H.; "Exploiting Charge Transfer States for Maximizing Intersystem Crossing Yields in Organic Photoredox Catalysts" Journal of the American Chemical Society 2018, 140, 4778–4781 http://dx.doi.org/10.1021/jacs.8b01001
• McCarthy, B. G.; Pearson, R. M.; Lim, C.-H.; Sartor, S. M.; Damrauer, N. H.; Miyake, G. M. “Structure-Property Relationships for Tailoring Phenoxazines as Reducing Photoredox Catalysts” Journal of the American Chemical Society 2018, 140, 5088–5101. http://dx.doi.org/10.1021/jacs.7b12074
• Carey, T. J.; Miller, E. G.; Gilligan, A. T.; Sammakia, T.; Damrauer, N. H. Modular Synthesis of Rigid Polyacene Dimers for Singlet Fission. Organic Letters 2018, 20, 457-460. http://dx.doi.org/10.1021/acs.orglett.7b03817
• Cook, J. D.; Carey, T. J.; Arias, D. H.; Johnson, J. C.; Damrauer, N. H. 溶剂控制的局域与非局域单重态激子态分支和结构明确的四烯二聚体中电荷转移的平衡. Journal of Physical Chemistry A 2017, 121, 9229-9242. http://dx.doi.org/10.1021/acs.jpca.7b09458
• Du, Y.; Pearson, R. M.; Lim, C. H.; Sartor, S. M.; Ryan, M. D.; Yang, H.; Damrauer, N. H.; Miyake, G. M. Strongly Reducing, Visible-Light Organic Photoredox Catalysts as Sustainable Alternatives to Precious Metals. Chemistry - A European Journal. 2017, 23, 10962-10968. http://dx.doi.org/10.1002/chem.201702926 
• Carey, T. J.; Snyder, J. L.; Miller, E. G.; Sammakia, T.; Damrauer, N.H. Synthesis of Geometrically Well-Defined Covalent Acene Dimers for Mechanistic Exploration of Singlet Fission. Journal of Organic Chemistry 2017, 82, 4866–4874. http://dx.doi.org/10.1021/acs.joc.7b00602
• Fatur, S. M.; Shepard, S. G.; Higgins, R. F.; Shores, M. P.; Damrauer, N. H. 控制铁(II)多吡啶中MLCT激发态寿命和自旋态的合成可调谐系统. Journal of the American Chemical Society 2017. http://dx.doi.org/10.1021/jacs.7b00700
• Lim, C.-H.; Ryan, M. D.; McCarthy, B. G.; Theriot, J. C.; Sartor, S. M.; Damrauer, N. H.; Musgrave, C. B.; Miyake, G. M. Intramolecular Charge Transfer and Ion Pairing in N,n -二芳基二氢非那嗪光氧化还原催化剂的高效有机催化原子转移自由基聚合. Journal of the American Chemical Society 2016. http://dx.doi.org/10.1021/jacs.6b11022
• Cook, J. D., Carey, T. J. & Damrauer, N. H. Solution-Phase Singlet Fission in a Structurally Well-Defined Norbornyl-Bridged Tetracene Dimer. Journal of Physical Chemistry A 2016. http://dx.doi.org/10.1021/acs.jpca.6b04367
• Spettel, K. E.; Damrauer, N. H. 利用结构调谐芳基取代三吡啶钌(II)配合物的构象动力学抑制染料敏化太阳能电池中的电荷重组. Journal of Physical Chemistry C 2016, 120, 10815–10829. http://dx.doi.org/10.1021/acs.jpcc.6b03302
• Higgins, R. F.; Fatur, S. M.; Shepard, S. G.; Stevenson, S. M.; Boston, D. J.; Ferreira, E. M.; Damrauer, N. H.; Rappé, A. K.; Shores, M. P. Uncovering the Roles of Oxygen in Cr(III) Photoredox Catalysis. Journal of the American Chemical Society 2016, 138, 5451–5464. http://dx.doi.org/10.1021/jacs.6b02723
• Shepard, S. G.; Fatur, S. M.; Rappe, A. K.; Damrauer, N. H. 高应变铁(II)多吡啶:利用五流形延长MLCT激发态寿命. Journal of the American Chemical Society 2016, 138, 2949–2952. http://dx.doi.org/10.1021/jacs.5b13524
• Arias, D. H.; Ryerson, J. L.; Cook, J. D.; Damrauer, N. H.; Johnson, J. C. Polymorphism influences singlet fission rates in tetracene thin films. Chemical Science. 2016, 7, 1185–1191. http://dx.doi.org/10.1039/C5SC03535J
• Miaja-Avila, L.; O’Neil, G.C.; Joe, Y.I.; Alpert, B.K.; Damrauer, N.H.; Doriese, W.B.; Fatur, S.M.; Fowler, J.W.; Hilton, G.C.; Jimenez, R.; Reintsema, C.D.; Schmidt, D.R.; Silverman, K.L.; Swetz, D.S.; Tatsuno, H.; Ullom, J.N. Ultrafast time-resolved hard x-ray emission spectroscopy on a table top. Physical Review X 2016, 6, 031047. http://journals.aps.org/prx/abstract/10.1103/PhysRevX.6.031047
• Damrauer, N. H.; Snyder, J. L. Symmetry-Directed Control of Electronic Coupling for Singlet Fission in Covalent Bis-Acene Dimers. The Journal of Physical Chemistry Letters. 2015, 6, 4456–4462. http://dx.doi.org/10.1021/acs.jpclett.5b02186
• Alguire, E. C.; Subotnik, J. E.; Damrauer, N. H. 探索共价四烯二聚体中的非安全套效应:振动在确定单线态裂变的电子耦合中的重要性? The Journal of Physical Chemistry A 2014, 119, 299-311. http://dx.doi.org/10.1021/jp510777c 
• Spettel, K. E.; Damrauer, N. H. Synthesis, Electrochemical Characterization, and Photophysical Studies of Structurally Tuned Aryl-Substituted Terpyridyl Ruthenium(II) Complexes. The Journal of Physical Chemistry A. (2014) ASAP. dx.doi.org/10.1021/jp508145w
• Damrauer, R.; Lin, H.; Damrauer, N. H. Computational Studies of Carbodiimide Rings. The Journal of Organic Chemistry  79, 3781-3788 (2014). dx.doi.org/10.1021/jo4026435
• Vallet, P. J.; Snyder, J. L.; Damrauer, N. H. 分子单线态裂变中结构明确的四烯二聚体的可调谐电子耦合和驱动力:密度泛函理论的计算探索. The Journal of Physical Chemistry A.  117, 10824–10838 (2013). dx.doi.org/10.1021/jp407426q
• Hewitt, J. T.; Concepcion, J. J.; Damrauer, N. H.  Ru(II)−Aquo配合物激发态弛豫中的逆动力学同位素效应:揭示氢键动力学对非辐射衰变的影响. Journal of the American Chemical Society 135, 12500–12503 (2013). dx.doi.org/10.1021/ja4037498
• Vallet, P. J.; Damrauer, N. H. 高应变特吡啶钌配合物基态和激发态性质的实验和计算探索. The Journal of Physical Chemistry A. 117, 6489–6507 (2013). dx.doi.org/10.1021/jp404248z
• Tseng, H. W. Wilker, M. B., Damrauer, N. H., Dukovic, G. Charge Transfer Dynamics between Photoexcited CdS Nanorods and Mononuclear Ru Water-Oxidation Catalysts. Journal of the American Chemical Society 135, 3383–3386 (2013). dx.doi.org/10.1021/ja400178g
• McDaniel, A. M.; Tseng, H. W.; Hill, E. A.; Damrauer, N. H.; Rappé, A. K.; Shores, M. P. 铬(III)六齿亚氨基吡啶配合物及其三(双齿)类似物的合成与光物理研究[j], 1368-1378 (2013). dx.doi.org/10.1021/ic302055r
• Hewitt, J. T.; Vallet, P. J.; Damrauer, N. H. 超快光谱探测Ru(II)三吡啶配合物中3MLCT的动力学:激发态平衡和配体间电子转移的证据. The Journal of Physical Chemistry A 116, 11536-11547 (2012). dx.doi.org/10.1021/jp308091t
• Grumstrup, E. M.; Damrauer, N. H. 基于像素化脉冲整形装置的二维傅立叶变换光谱的建模与校正. Optics Express 20, 20908 (2012). http://dx.doi.org/10.1364/OE.20.020908
• Vallet, P. J.; Damrauer, N. H. 钌多吡啶配合物中卤碳键断裂光反应的计算探索(2011) The Journal of Physical Chemistry A. 115, 3122-3132 (2011).
• Grumstrup, E. M.; Johnson, J. C.; Damrauer, N. H. Enhanced Triplet Formation in Polycrystalline Tetracene Films by Femtosecond Optical-Pulse Shaping. Physical Review Letters 105, 257403 (2010).
• Montgomery, M. A.; Grumstrup, E. M.; Damrauer, N. H. 宽带激光脉冲振幅或相位整形的傅立叶变换光谱及其在自适应控制中的应用. Journal of the Optical Society of America B. 27, 2518-2533 (2010).
• Meylemans, H. A.; Hewitt, J. T.; Abdelhaq, M.; Vallett, P. J.; Damrauer, N. H. 利用构象动力学促进金属配合物中电子转移光产物的形成和捕获. Journal of the American Chemical Society 132, 11464–11466 (2010).
• McDaniel, A. M.; Tseng, H. W.; Damrauer, N. H.; Shores, M. P. 强光氧化异电位Cr(III)三-二吡啶配合物的合成与液相表征:高效空穴转移敏化剂s. Inorganic Chemistry 49, 7981-7991 (2010).
• Meylemans, H. A.; Damrauer, N. H. 通过操纵结构和配体扭转运动来控制电子转移:利用密度泛函对钌供体-受体系统的计算探索. Inorganic Chemistry 48, 11161-11175 (2009).
• Montgomery, M. A.; Damrauer, N. H. 一种方便的模拟和可视化表示任意形状宽带激光脉冲双光子功率谱的方法. New Journal of Physics (Special Issue on Quantum Control Edited by H. Rabitz) 11, 105053 (2009).
• Meylemans, H. A.; Lei, C.F..; Damrauer, N. H. Ligand Structure, Conformational Dynamics, 和用于控制合成给体-桥-受体系统中光诱导电子转移速率的激发态电子离域 Inorganic Chemistry 47, 4060-4076 (2008).
• Grumstrup, E. M. ; Shim, S. H.; Montgomery, M. A.; Zanni, M. T.; Damrauer, N. H. Facile Collection of Two-Dimensional Electronic Spectra with Pulse Shaping Technology. Optics Express 15, 16681-16689 (2007).
• Montgomery, M. A.; Meglen, R. R.; Damrauer, N. H. General Method for Reducing Adaptive Laser Pulse Shaping Experiments to a Single Control Variable. J. Phys. Chem. A 111, 5126-5129 (2007).
• Montgomery, M. A.; Damrauer, N. H. 溶液相[Ru(dpb)3](PF6)2发射自适应调控过程中发现的调控机制的阐释. Journal of Physical Chemistry A. 111, 1426-1433 (2007).
• Montgomery, M. A.; Meglen, R. R.; Damrauer, N. H. Robust Basis Functions for Control from Dimension Reduction of Adaptive Pulse-Shaping Experiments. Ultrafast Phenomena XV, R. J. D. Miller, A. M. Weiner, P. Corkum, and D. M. Jonas, eds., Springer Series in Chemical Physics, Springer, Berlin, (2006).
• Montgomery, M. A.; Meglen, R. R.; Damrauer, N.H. A General Method for the Dimension Reduction of Adaptive Control Experiments. Journal of Physical Chemistry A. 110, 6391-6394 (2006).