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太赫兹光谱和太赫兹EPR（亚毫米波/太赫兹光谱太赫兹电子寄生共振）
THZ-BEAMLINE-用于THZ光谱和THZ EPR的相干THZ偶极子辐射
太赫兹束线利用特殊的存储环模式发射的强相干同步加速器辐射（CSR，[1-2]），用于研究3至150 cm-1能量范围内的磁光学现象。专用的太赫兹电子顺磁共振（THz-EPR）设施将多种激发和检测方案与极端样品环境（特别是高磁场和低温）结合在一起。研究主题涉及例如蛋白质，单分子磁体，能量材料和与未来信息技术相关的材料中的高自旋态的操纵和检测。
太赫兹光束线以2 m的偶极子源（D112）在切片部分之后以60 mrad（h）x 15 mrad（v）的接受度提取CSR。一条真正的光传输线会以低a模式（脉冲长度：<10 ps，光谱范围：3-50 cm-1）传输由超短束发射的CSR，并由Femtoslicing激光诱导[2]（脉冲长度：〜200 fs，光谱范围：20-150 cm-1）。实验中可以使用互补的FIR-UV-VIS cw辐射和1 mJ同步fs激光脉冲（800或400 nm）。样品环境包括配备了可变温度插件（1.5 K-200 K）的超导磁体（Oxford Spectromag，-11 T至+11 T）和光学低温恒温器（Oxford Optistat，T = 1.5 K- 300 K）。通过高分辨率FTIR光谱仪（Bruker IFS 125-HR，最小带宽：0.0063 cm-1），超灵敏液氦冷却的Si-或InSb辐射热计或快速肖特基二极管THz检测器，可以实现THz检测（ ACST，时间分辨率为250 ps）。或者，可以通过时域（TD）THz设置直接检测瞬态THz信号。这种专用的TD THz方案允许来自存储环的THz脉冲与同步的外部fs激光源（光泵– THz探头）互相关。
Science drivers for the THz beamline
The THz beamline exploits intense coherent synchrotron radiation (CSR, [1-2]) as emitted from special storage ring modes, for the study of magneto optical phenomena in the energy range from 3 to 150 cm-1. A dedicated THz electron paramagnetic resonance (THz-EPR) facility combines a broad range of excitation and detection schemes with extreme sample environments (in particular high magnetic fields and low temperatures). Research topics are related to manipulation and detection of high spin states in e.g., proteins, single molecule magnets, energy materials and materials relevant for future information technologies.
The THz beamline extracts CSR from the 2° dipole source (D112) after the slicing section at an acceptance of 60 mrad (h) x 15 mrad (v). A true optical transmission line transports CSR as emitted by ultra-short bunches in the low a mode (pulse length: < 10 ps, spectral range: 3-50 cm-1)[1] and laser-induced by Femtoslicing [2] ( pulse length: ~ 200 fs, spectral range: 20-150 cm-1), respectively. Complementary, FIR-UV-VIS cw radiation and 1 mJ of synchronized fs laser pulses (800 or 400 nm) are available at the experiment. Sample environments include a superconducting magnet (Oxford Spectromag, -11 T to +11 T) equipped with a variable temperature insert (1.5 K-200 K), and an optical cryostat (Oxford Optistat, T = 1.5 K- 300 K). THz detection is achieved either with a high resolution FTIR-spectrometer (Bruker IFS 125-HR, min. bandwidth: 0.0063 cm-1) in combination with ultra-sensitive liquid helium cooled Si- or InSb – bolometers or fast Schottky diode THz detectors (ACST, time resolution 250 ps). Alternatively, transient THz signals may be directly detected via a time domain (TD) THz set-up. This dedicated TD THz scheme allows for a cross-correlation of THz pulses from the storage ring with the synchronized external fs-laser source (optical pump – THz probe).
Optical layout and schematic of the instrumental set-up at the THz beamline. THz radiation extracted from the storage ring may be readily directed towards three different detection schemes.
动因：
主要的科学驱动因素是对高自旋跃迁金属和稀土离子的自旋耦合能的研究。 自旋耦合能是电子结构的灵敏探针，它决定具有不成对电子自旋的化合物的磁性。 后者是非常需要的信息，因为高自旋顺磁性离子决定了蛋白质和合成络合物中许多重要催化过程的功能，以及具有较大交换耦合的系统的特性，例如： 单分子磁体，能量材料或高度相关的固体。
BESSY II THz-EPR Setup
频域傅立叶变换THz-EPR（FD-FT THz-EPR）
EPR能够提供有关包含不成对电子自旋的材料的磁结构-功能关系的独特信息。 但是，传统的单频EPR在自旋跃迁能超过光谱仪的量子能（通常<4 cm-1）的情况下经常失败。 最近，我们已经证明基于CSR [1-2]的FD-FT THz-EPR [3]提供了一种独特的工具来克服此限制。 我们的新颖方法允许在单个光谱仪中在很宽的能量（3 cm-1 – 150 cm-1）和磁场范围（-11 T-+11 T）上进行EPR激发。 FD-FT THz-EPR已成功应用于单分子磁体[4、5、6]催化单核整数HS TMI络合物[7]以及最近的蛋白质[8]和强相关固态系统中的高自旋离子 [9]。
https://wayforlight.eu/en/beamline/21919
Pavlov, A.A.; Nehrkorn, J.; Zubkevich, S.V.; Fedin, M.V.; Holldack, K.; Schnegg, A.; Novikov, V.V.: A Synergy and Struggle of EPR, Magnetometry and NMR: A Case Study of Magnetic Interaction Parameters in a Six-Coordinate Cobalt(II) Complex. , Inorganic Chemistry 59 (2020), p. 10746-10755
doi:10.1021/acs.inorgchem.0c01191
Krzystek, J.; Schnegg, A.; Aliabadi, A.; Holldack, K.; Stoian, S.A.; Ozarowski, A.; Hicks, S.D.; Abu-Omar, M.M.; Thomas, K.E.; Ghosh, A.; Caulfield, P.K.; Tonzetich, Z.J.; Telser, J.: Advanced Paramagnetic Resonance Studies on Manganese and Iron Corroles with a Formal d4 Electron Count. , Inorganic Chemistry 59 (2020), p. 1075-1090
doi:10.1021/acs.inorgchem.9b02635
Massa, N.E.; del Campo, L.; Holldack, K.; Canizarès, A.; Ta Phuoc, V.; Kayser, P.; Alonso, J.A.: h-ErMnO3 absorbance, reflectivity, and emissivity in the terahertz to mid-infrared from 2 to 1700 K: Carrier screening, Fröhlich resonance, small polarons, and bipolarons. , Physical Review B 102 (2020), p. 134305-134321
doi:10.1103/PhysRevB.102.134305
Jochim, A.; Lohmiller, T.; Rams, M.; Böhme, M.; Ceglarska, M.; Schnegg, A.; Plass, W.; Näther, C.: Influence of the Coligand onto the Magnetic Anisotropy and the Magnetic Behavior of One-Dimensional Coordination Polymers. , Inorganic Chemistry 59 (2020), p. 8971–8982
doi:10.1021/acs.inorgchem.0c00815
Bragaglia, V.; Ramsteiner, M.; Schick, D.; Boschker, J.E.; Mitzner, R.; Calarco, R.; Holldack, K.: Phonon anharmonicities and ultrafast dynamics in epitaxial Sb2Te3. , Scientific Reports 10 (2020), p. 12962/1-9
doi:10.1038/s41598-020-69663-y
Rams, M.; Jochim, A.; Böhme, M.; Lohmiller, T.; Ceglarska, M.; Rams, M.M.; Schnegg, A.; Plass, W.; Näther, C.: Single-Chain Magnet Based on Cobalt(II) Thiocyanate as XXZ Spin Chain. , Chemistry - A European Journal 26 (2020), p. 2837-2851
doi:10.1002/chem.201903924
Viciano-Chumillas, M.; Blondin, G.; Clémancey, M.; Krzystek, J.; Ozerov, M.; Armentano, D.; Schnegg, A.; Lohmiller, T.; Telser, J.; Lloret, F.; Cano, J.: Single-Ion Magnetic Behaviour in an Iron(III) Porphyrin Complex: A Dichotomy Between High Spin and 5/2-3/2 Spin Admixture. , Chemistry - A European Journal 26 (2020), p. 14242-14251
doi:10.1002/chem.202003052
Böhme, M.; Jochim, A.; Rams, M.; Lohmiller, T.; Suckert, S.; Schnegg, A.; Plass, W.; Näther, C.: Variation of the Chain Geometry in Isomeric 1D Co(NCS)2 Coordination Polymers and Their Influence on the Magnetic Properties. , Inorganic Chemistry 59 (2020), p. 5325-5338
doi:10.1021/acs.inorgchem.9b03357
2019
Cheng, J.; Liu, J.; Leng, X.; Lohmiller, T.; Schnegg, A.; Bill, E.; Ye, S.; Deng, L.: A Two-Coordinate Iron(II) Imido Complex with NHC Ligation: Synthesis, Characterization, and Its Diversified Reactivity of Nitrene Transfer and C-H Bond Activation. , Inorganic Chemistry 58 (2019), p. 7634-7644
doi:10.1021/acs.inorgchem.9b01147
Böhme, M.; Ziegenbalg, S.; Aliabadi, A.; Schnegg, A.; Görls, H.; Plass, W.: Correction : Magnetic relaxation in cobalt(ii)-based single-ion magnets influenced by distortion of the pseudotetrahedral [N2O2] coordination environment. , Dalton Transactions 48 (2019), p. 1142-1143
doi:10.1039/c9dt90143d
Nehrkorn, J.; Bonke, S.; Aliabadi, A.; Schwalbe, M.; Schnegg, A.: Examination of the Magneto-Structural Effects of Hangman Groups on Ferric Porphyrins by EPR. , Inorganic Chemistry 58 (2019), p. 14228-14237
doi:10.1021/acs.inorgchem.9b02348
Schoenlein, R.; Elsaesser, T.; Holldack, K.; Huang, Z.; Kapteyn, H.; Murnane, M.; Woerner, M.: Recent advances in ultrafast X-ray sources. , Philosophical Transactions of the Royal Society A 377 (2019), p. 2018038/1-37
doi:10.1098/rsta.2018.0384
2018
Nehrkorn, J.; Veber, S.; Zhukas, L.; Novikov, V.; Nelyubina, Y.; Voloshin, Y.; Holldack, K.; Stoll, S.; Schnegg, A.: Determination of Large Zero-Field Splitting in High-Spin Co(I) Clathrochelates. , Inorganic Chemistry 57 (2018), p. 15330-15340
doi:10.1021/acs.inorgchem.8b02670
Massa, N.E.; Campo, L. del; Holldack, Karsten; Ta Phuoc, Vinh; Echegut, Patrick; Kayser, Paula; José, A.A.: Far- and mid-infrared emission and reflectivity of orthorhombic and cubic ErMnO3:Polarons and bipolarons. , Physical Review B 98 (2018), p. 184302-184315
doi:10.1103/PhysRevB.98.184302
Massa, N.E.; Holldack, K.; Sopracase, R.; Ta Phuoc, Vinh; del Campo, Leire; Echegut, Patrick; Antonio, José: Identification of spin wave resonances and crystal eld fi fi levels in simple chromites RCrO3 (R = Pr, Sm, Er) at low temperatures in the THz spectralregion. , Journal of Magnetism and Magnetic Materials 468 (2018), p. 294-303
doi:10.1016/j.jmmm.2018.07.028
2017
Born, P.; Holldack, K.: Analysis of granular packing structure by scattering of THz radiation. , Review of Scientific Instruments 88 (2017), p. 051802/1-12
doi:10.1063/1.4983045
Palacios, M.A.; Nehrkorn, J.; Suturina, E.A.; Ruiz, E.; Gómez-Coca, S.; Holldack, K.; Schnegg, A.; Krzystek, J.; Moreno, J.M.; Colacio, E.: Analysis of magnetic anisotropy and the role of magnetic dilution in triggering SMM behaviour in a family of CoII-YIII dinuclear complexes with easy-plane anisotropy. , Chemistry - A European Journal 23 (2017), p. 11649-11661
doi:10.1002/chem.201702099
Suturina, E.A.; Nehrkorn, J.; Zadrozny, J.; Liu, J.; Atanasov, M.; Weyhermueller, T.; Maganas, D.; Hill, S.; Schnegg, A.; Bill, E.; Long, J.R.; Neese, F.: Magneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)4]2- Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations. , Inorganic Chemistry 56 (2017), p. 3102-3118
doi:10.1021/acs.inorgchem.7b00097
Nehrkorn, J.; Holldack, K.; Bittl, R.; Schnegg, A.: Recent progress in synchrotron-based frequency-domain Fourier-transform THz-EPR. , Journal of Magnetic Resonance 280 (2017), p. 10-19
doi:10.1016/j.jmr.2017.04.001
Bucinsky, L.; Breza, M.; Lee, W.-T.; Hickey, A.K.; Dickie, D.A.; Nieto, I.; DeGayner, J.A.; Harris, T.D.; Meyer, K.; Krzystek, J.; Ozarowski, A.; Nehrkorn, J.; Schnegg, A.; Holldack, K.; Herber, R.H.; Telser, J.; Smith, J.M.: Spectroscopic and Computational Studies of Spin States of Iron(IV) Nitrido and Imido Complexes. , Inorganic Chemistry 56 (2017), p. 4752–4769
doi:10.1021/acs.inorgchem.7b00512
Schnegg, A.: Very-high-frequency EPR. , In: Daniella Goldfarb, Stefan Stoll [Ed.] : eMagRes, volume 6, issue 1. John Wiley & Sons,, 2017. - ISBN 978-0-470-03459-0, p. 115-131
doi:10.1002/9780470034590.emrstm1526
2016
Müller, R.; Birke, T.; Falkenstern, F.; Glass, H.; Kuske, P.; Ovsyannikov, R.; Schälicke, A.; Schüler, D.; Holldack, K.: BESSY II supports an extensive suite of timing experiments. , In: Christine Petit-Jean-Genaz ... [Ed.] : IPAC2016, Proceedings of the 7th International Particle Accelerator Conference, Busan, China. JACoW, 2016. - ISBN 978-3-95450-147-2, p. WEPOW011/2840-2843
Bragaglia, V.; Schnegg, A.; Calarco, R.; Holldack, K.: Epitaxial Ge2Sb2Te5 probed by single cycle THz pulses of coherent synchrotron radiation. , Applied Physics Letters 109 (2016), p. 141903/1-4
doi:10.1063/1.4963889
Bragaglia, V.; Holldack, K.; Boschker, J.E.; Arciprete, F.; Zallo, E.; Flissikowski, T.; Calarco, R.: Far-Infrared and Raman Spectroscopy Investigation of Phonon Modes in Amorphous and Crystalline Epitaxial GeTe-Sb2Te3 Alloys. , Scientific Reports 6 (2016), p. 28560/1-7
doi:10.1038/srep28560
Feng, X.; Liu, J.-L.; Pedersen, K.S.; Nehrkorn, J.; Schnegg, A.; Holldack, K.; Bendix, J.; Sigrist, M.; Mutka, H.; Samohvalov, D.; Aguila, D.; Tong, M.-L.; Long, J.R.; Clerac, R.: Multifaceted magnetization dynamics in the mononuclear complex [ReIVCl4(CN)2]2-. , Chemical Communications 52 (2016), p. 12905-12908
doi:10.1039/c6cc05473k
Baumgärtel, P.; Witt, M.; Baensch, J.; Fabarius, M.; Erko, A.; Schäfers, F.; Schirmacher, H.: RAY-UI: A Powerful and Extensible User Interface for RAY. , AIP Conference Proceedings 1741 (2016), p. 040016/1-4
doi:10.1063/1.4952888
Holldack, K.; Schnegg, A.: THz Electron Paramagnetic Resonance / THz Spectroscopy. , Journal of Large Scale Research Facilities JLSRF 2 (2016), p. A-51
doi:10.17815/jlsrf-2-74
2015
Pinkowicz, D.; Southerland, H.I.; Avendano, C.; Prosvirin, A.; Sanders, C.; Wernsdorfer, W.; Pedersen, K.S.; Dreiser, J.; Clerac, R.; Nehrkorn, J.; Simeoni, G.; Schnegg, A.; Holldack, K.; Dunbar, K.R.: Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible "On" and "Off" Exchange Bias Behavior. , Journal of the American Chemical Society 137 (2015), p. 14406-14422
doi:10.1021/jacs.5b09378
Nehrkorn, J.; Schnegg, A.; Holldack, K.; Stoll, S.: General Magnetic Transition Dipole Moments for Electron Paramagnetic Resonance. , Physical Review Letters 114 (2015), p. 010801/1-5
doi:10.1103/PhysRevLett.114.010801
Born, Philip; Holldack, Karsten; Sperl, Matthias: Particle characterization using THz spectroscopy. , Granular Matter 17 (2015), p. 531-536
doi:10.1007/s10035-015-0578-9
Förster, D.; Lindenau, B.; Leyendecker, M.; Janssen, F.; Winkler, C.; Schumann, F.O.; Kirschner, J.; Holldack, K.; Föhlisch, A.: Phase-locked MHz pulse selector for x-ray sources. , Optics Letters 40 (2015), p. 2265-2268
doi:10.1364/OL.40.002265
Nehrkorn, J.; Telser, J.; Holldack, K.; Stoll, S.; Schnegg, A.: Simulating Frequency-Domain Electron Paramagnetic Resonance: Bridging the Gap between Experiment and Magnetic Parameters for High-Spin Transition-Metal Ion Complexes. , The Journal of Physical Chemistry B 119 (2015), p. 13816 - 13824
doi:10.1021/acs.jpcb.5b04156
Vogel, C.; Stemann, J.; Holldack, K.; Sekine, R.; Lipiec, E.; Adam, C.: Thermal treatment of chromium(III) oxide with carbonates analyzed by far-infrared spectroscopy. , Applied Spectroscopy 69 (2015), p. 1210-1214
doi:10.1366/15-07878
Liebhaber, M.; Mews, M.; Schulze, T.F.; Korte, L.; Rech, B.; Lips, K.: Valence band offset in heterojunctions between crystalline silicon and amorphous silicon (sub)oxides (a-SiOx:H, 0<x<2). , Applied Physics Letters 106 (2015), p. 031601/1-5
doi:10.1063/1.4906195
2013
Dreiser, J.; Pedersen, K.S.; Schnegg, A.; Holldack, K.; Nehrkorn, J.; Sigrist, M.; Tregenna-Piggott, P.; Mutka, H.; Weihe, H.; Mironov, V.S.; Bendix, J.; Waldmann, O.: Anisotropic Exchange Coupling in the Single-Molecule Magnets (NEt4)[MnIII2(5-Brsalen)2(MeOH)2MIII(CN)6] (M = Ru,Os). , Chemistry - A European Journal 19 (2013), p. 3693-3701
doi:10.1002/chem.201203781
Forshaw, A.P.; Smith, J.M.; Ozarowski, A.; Krzystek, J.; Smirnov, D.; Zvyagin, S.A.; Harris, T.D.; Karunadasa, H.I.; Zadrozny, J.M.; Schnegg, A.; Holldack, K.; Jackson, T.A.; Alamiri, A.; Barnes, D.M.; Telser, J.: Low-Spin Hexa-Coordinate Mn(III): Synthesis and Spectroscopic Investigation of Homoleptic Tris(pyrazolyl)borate and Tris(carbene)borate Complexes. , Inorganic Chemistry 52 (2013), p. 144-159
doi:10.1021/ic301630d
Nehrkorn, J.; Martins, B.M.; Holldack, K.; Stoll, S.; Dobbek, H.; Bittl, R.; Schnegg, A.: Zero-field splittings in metHb and metMb with aquo and fluoro ligands: a FD-FT THz-EPR study. , Molecular Physics 111 (2013), p. 2696-2707
doi:10.1080/00268976.2013.809806
2011
Pedersen, K.S.; Dreiser, J.; Nehrkorn, J.; Gysler, M.; Schau-Magnussen, M.; Schnegg, A.; Holldack, K.; Bittl, R.; Piligkos, S.; Weihe, H.; Tregenna-Piggott, P.; Waldmann, O.; Bendix, J.: A linear single-molecule magnet based on [Ru-III(CN)6]3-. , Chemical Communications 47 (2011), p. 6918-6920
doi:10.1039/c1cc12158h
Dreiser, J.; Schnegg, A.; Holldack, K.; Pedersen, K.S.; Schau-Magnussen, M.; Nehrkorn, J.; Tregenna-Piggott, P.; Mutka, H.; Weihe, H.; Bendix, J.; Waldmann, O.: Frequency-Domain Fourier-Transform Terahertz Spectroscopy of the Single-Molecule Magnet (NEt4)[Mn2(5-Brsalen)2(MeOH)2Cr(CN)6]. , Chemistry - A European Journal 17 (2011), p. 7492-7498
doi:10.1002/chem.201100581
太赫兹束线利用特殊的存储环模式发射的强相干同步加速器辐射（CSR，[1-2]），用于研究3至150 cm-1能量范围内的磁光学现象。专用的太赫兹电子顺磁共振（THz-EPR）设施将多种激发和检测方案与极端样品环境（特别是高磁场和低温）结合在一起。研究主题涉及例如蛋白质，单分子磁体，能量材料和与未来信息技术相关的材料中的高自旋态的操纵和检测。
太赫兹光束线以2 m的偶极子源（D112）在切片部分之后以60 mrad（h）x 15 mrad（v）的接受度提取CSR。一条真正的光传输线会以低a模式（脉冲长度：<10 ps，光谱范围：3-50 cm-1）传输由超短束发射的CSR，并由Femtoslicing激光诱导[2]（脉冲长度：〜200 fs，光谱范围：20-150 cm-1）。实验中可以使用互补的FIR-UV-VIS cw辐射和1 mJ同步fs激光脉冲（800或400 nm）。样品环境包括配备了可变温度插件（1.5 K-200 K）的超导磁体（Oxford Spectromag，-11 T至+11 T）和光学低温恒温器（Oxford Optistat，T = 1.5 K- 300 K）。通过高分辨率FTIR光谱仪（Bruker IFS 125-HR，最小带宽：0.0063 cm-1），超灵敏液氦冷却的Si-或InSb辐射热计或快速肖特基二极管THz检测器，可以实现THz检测（ ACST，时间分辨率为250 ps）。或者，可以通过时域（TD）THz设置直接检测瞬态THz信号。这种专用的TD THz方案允许来自存储环的THz脉冲与同步的外部fs激光源（光泵– THz探头）互相关。
Science drivers for the THz beamline
The THz beamline exploits intense coherent synchrotron radiation (CSR, [1-2]) as emitted from special storage ring modes, for the study of magneto optical phenomena in the energy range from 3 to 150 cm-1. A dedicated THz electron paramagnetic resonance (THz-EPR) facility combines a broad range of excitation and detection schemes with extreme sample environments (in particular high magnetic fields and low temperatures). Research topics are related to manipulation and detection of high spin states in e.g., proteins, single molecule magnets, energy materials and materials relevant for future information technologies.
The THz beamline extracts CSR from the 2° dipole source (D112) after the slicing section at an acceptance of 60 mrad (h) x 15 mrad (v). A true optical transmission line transports CSR as emitted by ultra-short bunches in the low a mode (pulse length: < 10 ps, spectral range: 3-50 cm-1)[1] and laser-induced by Femtoslicing [2] ( pulse length: ~ 200 fs, spectral range: 20-150 cm-1), respectively. Complementary, FIR-UV-VIS cw radiation and 1 mJ of synchronized fs laser pulses (800 or 400 nm) are available at the experiment. Sample environments include a superconducting magnet (Oxford Spectromag, -11 T to +11 T) equipped with a variable temperature insert (1.5 K-200 K), and an optical cryostat (Oxford Optistat, T = 1.5 K- 300 K). THz detection is achieved either with a high resolution FTIR-spectrometer (Bruker IFS 125-HR, min. bandwidth: 0.0063 cm-1) in combination with ultra-sensitive liquid helium cooled Si- or InSb – bolometers or fast Schottky diode THz detectors (ACST, time resolution 250 ps). Alternatively, transient THz signals may be directly detected via a time domain (TD) THz set-up. This dedicated TD THz scheme allows for a cross-correlation of THz pulses from the storage ring with the synchronized external fs-laser source (optical pump – THz probe).
Optical layout and schematic of the instrumental set-up at the THz beamline. THz radiation extracted from the storage ring may be readily directed towards three different detection schemes.
动因：
主要的科学驱动因素是对高自旋跃迁金属和稀土离子的自旋耦合能的研究。 自旋耦合能是电子结构的灵敏探针，它决定具有不成对电子自旋的化合物的磁性。 后者是非常需要的信息，因为高自旋顺磁性离子决定了蛋白质和合成络合物中许多重要催化过程的功能，以及具有较大交换耦合的系统的特性，例如： 单分子磁体，能量材料或高度相关的固体。
BESSY II THz-EPR Setup
频域傅立叶变换THz-EPR（FD-FT THz-EPR）
EPR能够提供有关包含不成对电子自旋的材料的磁结构-功能关系的独特信息。 但是，传统的单频EPR在自旋跃迁能超过光谱仪的量子能（通常<4 cm-1）的情况下经常失败。 最近，我们已经证明基于CSR [1-2]的FD-FT THz-EPR [3]提供了一种独特的工具来克服此限制。 我们的新颖方法允许在单个光谱仪中在很宽的能量（3 cm-1 – 150 cm-1）和磁场范围（-11 T-+11 T）上进行EPR激发。 FD-FT THz-EPR已成功应用于单分子磁体[4、5、6]催化单核整数HS TMI络合物[7]以及最近的蛋白质[8]和强相关固态系统中的高自旋离子 [9]。
https://wayforlight.eu/en/beamline/21919
THz-Beamline
Coherent THz dipole radiation for THz spectroscopy & THz EPR
Publications
2020Pavlov, A.A.; Nehrkorn, J.; Zubkevich, S.V.; Fedin, M.V.; Holldack, K.; Schnegg, A.; Novikov, V.V.: A Synergy and Struggle of EPR, Magnetometry and NMR: A Case Study of Magnetic Interaction Parameters in a Six-Coordinate Cobalt(II) Complex. , Inorganic Chemistry 59 (2020), p. 10746-10755
doi:10.1021/acs.inorgchem.0c01191
Krzystek, J.; Schnegg, A.; Aliabadi, A.; Holldack, K.; Stoian, S.A.; Ozarowski, A.; Hicks, S.D.; Abu-Omar, M.M.; Thomas, K.E.; Ghosh, A.; Caulfield, P.K.; Tonzetich, Z.J.; Telser, J.: Advanced Paramagnetic Resonance Studies on Manganese and Iron Corroles with a Formal d4 Electron Count. , Inorganic Chemistry 59 (2020), p. 1075-1090
doi:10.1021/acs.inorgchem.9b02635
Massa, N.E.; del Campo, L.; Holldack, K.; Canizarès, A.; Ta Phuoc, V.; Kayser, P.; Alonso, J.A.: h-ErMnO3 absorbance, reflectivity, and emissivity in the terahertz to mid-infrared from 2 to 1700 K: Carrier screening, Fröhlich resonance, small polarons, and bipolarons. , Physical Review B 102 (2020), p. 134305-134321
doi:10.1103/PhysRevB.102.134305
Jochim, A.; Lohmiller, T.; Rams, M.; Böhme, M.; Ceglarska, M.; Schnegg, A.; Plass, W.; Näther, C.: Influence of the Coligand onto the Magnetic Anisotropy and the Magnetic Behavior of One-Dimensional Coordination Polymers. , Inorganic Chemistry 59 (2020), p. 8971–8982
doi:10.1021/acs.inorgchem.0c00815
Bragaglia, V.; Ramsteiner, M.; Schick, D.; Boschker, J.E.; Mitzner, R.; Calarco, R.; Holldack, K.: Phonon anharmonicities and ultrafast dynamics in epitaxial Sb2Te3. , Scientific Reports 10 (2020), p. 12962/1-9
doi:10.1038/s41598-020-69663-y
Rams, M.; Jochim, A.; Böhme, M.; Lohmiller, T.; Ceglarska, M.; Rams, M.M.; Schnegg, A.; Plass, W.; Näther, C.: Single-Chain Magnet Based on Cobalt(II) Thiocyanate as XXZ Spin Chain. , Chemistry - A European Journal 26 (2020), p. 2837-2851
doi:10.1002/chem.201903924
Viciano-Chumillas, M.; Blondin, G.; Clémancey, M.; Krzystek, J.; Ozerov, M.; Armentano, D.; Schnegg, A.; Lohmiller, T.; Telser, J.; Lloret, F.; Cano, J.: Single-Ion Magnetic Behaviour in an Iron(III) Porphyrin Complex: A Dichotomy Between High Spin and 5/2-3/2 Spin Admixture. , Chemistry - A European Journal 26 (2020), p. 14242-14251
doi:10.1002/chem.202003052
Böhme, M.; Jochim, A.; Rams, M.; Lohmiller, T.; Suckert, S.; Schnegg, A.; Plass, W.; Näther, C.: Variation of the Chain Geometry in Isomeric 1D Co(NCS)2 Coordination Polymers and Their Influence on the Magnetic Properties. , Inorganic Chemistry 59 (2020), p. 5325-5338
doi:10.1021/acs.inorgchem.9b03357
2019
Cheng, J.; Liu, J.; Leng, X.; Lohmiller, T.; Schnegg, A.; Bill, E.; Ye, S.; Deng, L.: A Two-Coordinate Iron(II) Imido Complex with NHC Ligation: Synthesis, Characterization, and Its Diversified Reactivity of Nitrene Transfer and C-H Bond Activation. , Inorganic Chemistry 58 (2019), p. 7634-7644
doi:10.1021/acs.inorgchem.9b01147
Böhme, M.; Ziegenbalg, S.; Aliabadi, A.; Schnegg, A.; Görls, H.; Plass, W.: Correction : Magnetic relaxation in cobalt(ii)-based single-ion magnets influenced by distortion of the pseudotetrahedral [N2O2] coordination environment. , Dalton Transactions 48 (2019), p. 1142-1143
doi:10.1039/c9dt90143d
Nehrkorn, J.; Bonke, S.; Aliabadi, A.; Schwalbe, M.; Schnegg, A.: Examination of the Magneto-Structural Effects of Hangman Groups on Ferric Porphyrins by EPR. , Inorganic Chemistry 58 (2019), p. 14228-14237
doi:10.1021/acs.inorgchem.9b02348
Schoenlein, R.; Elsaesser, T.; Holldack, K.; Huang, Z.; Kapteyn, H.; Murnane, M.; Woerner, M.: Recent advances in ultrafast X-ray sources. , Philosophical Transactions of the Royal Society A 377 (2019), p. 2018038/1-37
doi:10.1098/rsta.2018.0384
2018
Nehrkorn, J.; Veber, S.; Zhukas, L.; Novikov, V.; Nelyubina, Y.; Voloshin, Y.; Holldack, K.; Stoll, S.; Schnegg, A.: Determination of Large Zero-Field Splitting in High-Spin Co(I) Clathrochelates. , Inorganic Chemistry 57 (2018), p. 15330-15340
doi:10.1021/acs.inorgchem.8b02670
Massa, N.E.; Campo, L. del; Holldack, Karsten; Ta Phuoc, Vinh; Echegut, Patrick; Kayser, Paula; José, A.A.: Far- and mid-infrared emission and reflectivity of orthorhombic and cubic ErMnO3:Polarons and bipolarons. , Physical Review B 98 (2018), p. 184302-184315
doi:10.1103/PhysRevB.98.184302
Massa, N.E.; Holldack, K.; Sopracase, R.; Ta Phuoc, Vinh; del Campo, Leire; Echegut, Patrick; Antonio, José: Identification of spin wave resonances and crystal eld fi fi levels in simple chromites RCrO3 (R = Pr, Sm, Er) at low temperatures in the THz spectralregion. , Journal of Magnetism and Magnetic Materials 468 (2018), p. 294-303
doi:10.1016/j.jmmm.2018.07.028
2017
Born, P.; Holldack, K.: Analysis of granular packing structure by scattering of THz radiation. , Review of Scientific Instruments 88 (2017), p. 051802/1-12
doi:10.1063/1.4983045
Palacios, M.A.; Nehrkorn, J.; Suturina, E.A.; Ruiz, E.; Gómez-Coca, S.; Holldack, K.; Schnegg, A.; Krzystek, J.; Moreno, J.M.; Colacio, E.: Analysis of magnetic anisotropy and the role of magnetic dilution in triggering SMM behaviour in a family of CoII-YIII dinuclear complexes with easy-plane anisotropy. , Chemistry - A European Journal 23 (2017), p. 11649-11661
doi:10.1002/chem.201702099
Suturina, E.A.; Nehrkorn, J.; Zadrozny, J.; Liu, J.; Atanasov, M.; Weyhermueller, T.; Maganas, D.; Hill, S.; Schnegg, A.; Bill, E.; Long, J.R.; Neese, F.: Magneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)4]2- Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations. , Inorganic Chemistry 56 (2017), p. 3102-3118
doi:10.1021/acs.inorgchem.7b00097
Nehrkorn, J.; Holldack, K.; Bittl, R.; Schnegg, A.: Recent progress in synchrotron-based frequency-domain Fourier-transform THz-EPR. , Journal of Magnetic Resonance 280 (2017), p. 10-19
doi:10.1016/j.jmr.2017.04.001
Bucinsky, L.; Breza, M.; Lee, W.-T.; Hickey, A.K.; Dickie, D.A.; Nieto, I.; DeGayner, J.A.; Harris, T.D.; Meyer, K.; Krzystek, J.; Ozarowski, A.; Nehrkorn, J.; Schnegg, A.; Holldack, K.; Herber, R.H.; Telser, J.; Smith, J.M.: Spectroscopic and Computational Studies of Spin States of Iron(IV) Nitrido and Imido Complexes. , Inorganic Chemistry 56 (2017), p. 4752–4769
doi:10.1021/acs.inorgchem.7b00512
Schnegg, A.: Very-high-frequency EPR. , In: Daniella Goldfarb, Stefan Stoll [Ed.] : eMagRes, volume 6, issue 1. John Wiley & Sons,, 2017. - ISBN 978-0-470-03459-0, p. 115-131
doi:10.1002/9780470034590.emrstm1526
2016
Müller, R.; Birke, T.; Falkenstern, F.; Glass, H.; Kuske, P.; Ovsyannikov, R.; Schälicke, A.; Schüler, D.; Holldack, K.: BESSY II supports an extensive suite of timing experiments. , In: Christine Petit-Jean-Genaz ... [Ed.] : IPAC2016, Proceedings of the 7th International Particle Accelerator Conference, Busan, China. JACoW, 2016. - ISBN 978-3-95450-147-2, p. WEPOW011/2840-2843
Bragaglia, V.; Schnegg, A.; Calarco, R.; Holldack, K.: Epitaxial Ge2Sb2Te5 probed by single cycle THz pulses of coherent synchrotron radiation. , Applied Physics Letters 109 (2016), p. 141903/1-4
doi:10.1063/1.4963889
Bragaglia, V.; Holldack, K.; Boschker, J.E.; Arciprete, F.; Zallo, E.; Flissikowski, T.; Calarco, R.: Far-Infrared and Raman Spectroscopy Investigation of Phonon Modes in Amorphous and Crystalline Epitaxial GeTe-Sb2Te3 Alloys. , Scientific Reports 6 (2016), p. 28560/1-7
doi:10.1038/srep28560
Feng, X.; Liu, J.-L.; Pedersen, K.S.; Nehrkorn, J.; Schnegg, A.; Holldack, K.; Bendix, J.; Sigrist, M.; Mutka, H.; Samohvalov, D.; Aguila, D.; Tong, M.-L.; Long, J.R.; Clerac, R.: Multifaceted magnetization dynamics in the mononuclear complex [ReIVCl4(CN)2]2-. , Chemical Communications 52 (2016), p. 12905-12908
doi:10.1039/c6cc05473k
Baumgärtel, P.; Witt, M.; Baensch, J.; Fabarius, M.; Erko, A.; Schäfers, F.; Schirmacher, H.: RAY-UI: A Powerful and Extensible User Interface for RAY. , AIP Conference Proceedings 1741 (2016), p. 040016/1-4
doi:10.1063/1.4952888
Holldack, K.; Schnegg, A.: THz Electron Paramagnetic Resonance / THz Spectroscopy. , Journal of Large Scale Research Facilities JLSRF 2 (2016), p. A-51
doi:10.17815/jlsrf-2-74
2015
Pinkowicz, D.; Southerland, H.I.; Avendano, C.; Prosvirin, A.; Sanders, C.; Wernsdorfer, W.; Pedersen, K.S.; Dreiser, J.; Clerac, R.; Nehrkorn, J.; Simeoni, G.; Schnegg, A.; Holldack, K.; Dunbar, K.R.: Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible "On" and "Off" Exchange Bias Behavior. , Journal of the American Chemical Society 137 (2015), p. 14406-14422
doi:10.1021/jacs.5b09378
Nehrkorn, J.; Schnegg, A.; Holldack, K.; Stoll, S.: General Magnetic Transition Dipole Moments for Electron Paramagnetic Resonance. , Physical Review Letters 114 (2015), p. 010801/1-5
doi:10.1103/PhysRevLett.114.010801
Born, Philip; Holldack, Karsten; Sperl, Matthias: Particle characterization using THz spectroscopy. , Granular Matter 17 (2015), p. 531-536
doi:10.1007/s10035-015-0578-9
Förster, D.; Lindenau, B.; Leyendecker, M.; Janssen, F.; Winkler, C.; Schumann, F.O.; Kirschner, J.; Holldack, K.; Föhlisch, A.: Phase-locked MHz pulse selector for x-ray sources. , Optics Letters 40 (2015), p. 2265-2268
doi:10.1364/OL.40.002265
Nehrkorn, J.; Telser, J.; Holldack, K.; Stoll, S.; Schnegg, A.: Simulating Frequency-Domain Electron Paramagnetic Resonance: Bridging the Gap between Experiment and Magnetic Parameters for High-Spin Transition-Metal Ion Complexes. , The Journal of Physical Chemistry B 119 (2015), p. 13816 - 13824
doi:10.1021/acs.jpcb.5b04156
Vogel, C.; Stemann, J.; Holldack, K.; Sekine, R.; Lipiec, E.; Adam, C.: Thermal treatment of chromium(III) oxide with carbonates analyzed by far-infrared spectroscopy. , Applied Spectroscopy 69 (2015), p. 1210-1214
doi:10.1366/15-07878
Liebhaber, M.; Mews, M.; Schulze, T.F.; Korte, L.; Rech, B.; Lips, K.: Valence band offset in heterojunctions between crystalline silicon and amorphous silicon (sub)oxides (a-SiOx:H, 0<x<2). , Applied Physics Letters 106 (2015), p. 031601/1-5
doi:10.1063/1.4906195
2013
Dreiser, J.; Pedersen, K.S.; Schnegg, A.; Holldack, K.; Nehrkorn, J.; Sigrist, M.; Tregenna-Piggott, P.; Mutka, H.; Weihe, H.; Mironov, V.S.; Bendix, J.; Waldmann, O.: Anisotropic Exchange Coupling in the Single-Molecule Magnets (NEt4)[MnIII2(5-Brsalen)2(MeOH)2MIII(CN)6] (M = Ru,Os). , Chemistry - A European Journal 19 (2013), p. 3693-3701
doi:10.1002/chem.201203781
Forshaw, A.P.; Smith, J.M.; Ozarowski, A.; Krzystek, J.; Smirnov, D.; Zvyagin, S.A.; Harris, T.D.; Karunadasa, H.I.; Zadrozny, J.M.; Schnegg, A.; Holldack, K.; Jackson, T.A.; Alamiri, A.; Barnes, D.M.; Telser, J.: Low-Spin Hexa-Coordinate Mn(III): Synthesis and Spectroscopic Investigation of Homoleptic Tris(pyrazolyl)borate and Tris(carbene)borate Complexes. , Inorganic Chemistry 52 (2013), p. 144-159
doi:10.1021/ic301630d
Nehrkorn, J.; Martins, B.M.; Holldack, K.; Stoll, S.; Dobbek, H.; Bittl, R.; Schnegg, A.: Zero-field splittings in metHb and metMb with aquo and fluoro ligands: a FD-FT THz-EPR study. , Molecular Physics 111 (2013), p. 2696-2707
doi:10.1080/00268976.2013.809806
2011
Pedersen, K.S.; Dreiser, J.; Nehrkorn, J.; Gysler, M.; Schau-Magnussen, M.; Schnegg, A.; Holldack, K.; Bittl, R.; Piligkos, S.; Weihe, H.; Tregenna-Piggott, P.; Waldmann, O.; Bendix, J.: A linear single-molecule magnet based on [Ru-III(CN)6]3-. , Chemical Communications 47 (2011), p. 6918-6920
doi:10.1039/c1cc12158h
Dreiser, J.; Schnegg, A.; Holldack, K.; Pedersen, K.S.; Schau-Magnussen, M.; Nehrkorn, J.; Tregenna-Piggott, P.; Mutka, H.; Weihe, H.; Bendix, J.; Waldmann, O.: Frequency-Domain Fourier-Transform Terahertz Spectroscopy of the Single-Molecule Magnet (NEt4)[Mn2(5-Brsalen)2(MeOH)2Cr(CN)6]. , Chemistry - A European Journal 17 (2011), p. 7492-7498
doi:10.1002/chem.201100581
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