Bode, B. E., Thamarath, S. S., Gupta, K. B. S. S., Alia, A., Jeschke, G., and
Matysik, J.: The Solid-State Photo-CIDNP Effect and Its Analytical
Application, in: Hyperpolarization methods in NMR spectroscopy, edited by:
Kuhn, L., Springer, Berlin Heidelberg, 105–121, 2012.
Dietrich, C., Wissel, J., Knoche, J., Lorenz, O., and Matysik, J.: Simple
device for dissolution and sample transfer for applications in
spin-hyperpolarization, Mol. Phys., 117, 2772–2776,
https://doi.org/10.1080/00268976.2018.1550224, 2019.
Dietrich, C., Wissel, J., Lorenz, O., Khan, A. H., Bertmer, M., Khazaei, S., Sebastiani, D., and Matysik, J.: The Relation Between Crystal Structure and the Occurrence of Quantum-Rotor Induced Polarization, Zenodo [data set], https://doi.org/10.5281/zenodo.5078040, 2021.
Duckett, S. B. and Mewis, R. E.: Application of Para hydrogen Induced
Polarization Techniques in NMR Spectroscopy and Imaging, Acc. Chem. Res.,
45, 1247–1257, https://doi.org/10.1021/ar2003094, 2012.
Dumez, J.-N., Vuichoud, B., Mammoli, D., Bornet, A., Pinon, A. C.,
Stevanato, G., Meier, B., Bodenhausen, G., Jannin, S., and Levitt, M. H.:
Dynamic Nuclear Polarization of Long-Lived Nuclear Spin States in Methyl
Groups, J. Phys. Chem. Lett., 8, 3549–3555,
https://doi.org/10.1021/acs.jpclett.7b01512, 2017.
Faber, A., Lemke, A., Spangenberg, B., and Bolte, M.: Three hydrohalogenides
of organic nitrogen bases, Acta Crystallogr. C, 55, IUC9900156, https://doi.org/10.1107/S0108270199098261, 1999.
Fairen-Jimenez, D., Moggach, S. A., Wharmby, M. T., Wright, P. A., Parsons,
S., and Düren, T.: Opening the Gate: Framework Flexibility in ZIF-8 Explored by Experiments and Simulations, J. Am. Chem. Soc., 133, 8900–8902, https://doi.org/10.1021/ja202154j, 2011.
Galigné, J. L., Mouvet, M., and Falgueirettes, J.: Nouvelle
détermination de la structure cristalline de l'acétate de lithium
dihydraté CH3COOLi.2H2O, Acta Crystallogr. B, 26, 368–372, https://doi.org/10.1107/S0567740870002418, 1970.
Gangu, K. K., Maddila, S., Mukkamala, S. B., and Jonnalagadda, S. B.: A
review on contemporary Metal–Organic Framework materials, Inorg. Chim.
Acta, 446, 61–74, https://doi.org/10.1016/j.ica.2016.02.062, 2016.
Gonzalez-Nelson, A., Coudert, F.-X., and van der Veen, M.: Rotational
Dynamics of Linkers in Metal–Organic Frameworks, Nanomaterials, 9, 330,
https://doi.org/10.3390/nano9030330, 2019.
Gueron, M.: Nuclear relaxation in macromolecules by paramagnetic ions: a
novel mechanism, J. Magn. Reson., 19, 58–66, https://doi.org/10.1016/0022-2364(75)90029-3, 1975.
Gutsche, C. D., Dhawan, B., No, K. H., and Muthukrishnan, R.: Calixarenes. 4.
The synthesis, characterization, and properties of the calixarenes from
p-tert-butylphenol, J. Am. Chem. Soc., 103, 3782–3792,
https://doi.org/10.1021/ja00403a028, 1981.
Halse, M. E.: Perspectives for hyperpolarisation in compact NMR, Trends
Anal. Chem., 83, 76–83, https://doi.org/10.1016/j.trac.2016.05.004, 2016.
Haupt, J.: A new effect of dynamic polarization in a solid obtained by rapid
change of temperature, Physics Letters A, 38, 389–390, 1972.
Haupt, J.: Experimental Results on the Dynamic Polarisation in a Solid by
Variation of Temperature, Z. Naturforsch. A, 28, 98–104, https://doi.org/10.1515/zna-1973-0117, 1973.
Hollenbach, J., Anger, B., and Matysik, J.: Chapter 9. Probing Exchange and
Diffusion in Confined Systems by
129Xe NMR Spectroscopy, in: Diffusion NMR of Confined Systems: Fluid Transport in Porous Solids and Heterogeneous Materials, edited by: Valiullin, R., The Royal Society of Chemistry, 294–317, https://doi.org/10.1039/9781782623779-00294, 2016.
Horsewill, A. J.: Quantum tunnelling aspects of methyl group rotation
studied by NMR, Prog. Nucl. Mag. Res. Sp., 35, 359–389,
https://doi.org/10.1016/S0079-6565(99)00016-3, 1999.
Icker, M.: Hyperpolarisation in fester und flüssiger Phase und ihr
Potential in der hochauflösenden magnetischen
Kernresonanz-Spektroskopie, dissertation, Leipzig University, Germany, 2013.
Icker, M. and Berger, S.: Unexpected multiplet patterns induced by the
Haupt-effect, J. Magn. Reson., 219, 1–3, https://doi.org/10.1016/j.jmr.2012.03.021,
2012.
Icker, M., Fricke, P., Grell, T., Hollenbach, J., Auer, H., and Berger, S.:
Experimental boundaries of the quantum rotor induced polarization (QRIP) in
liquid state NMR, Magn. Reson. Chem., 51, 815–820, https://doi.org/10.1002/mrc.4021, 2013.
Khan, A. H., Barth, B., Hartmann, M., Haase, J., and Bertmer, M.: Nitric
Oxide Adsorption in MIL-100(Al) MOF Studied by Solid-State NMR, J. Phys.
Chem. C, 122, 12723–12730, https://doi.org/10.1021/acs.jpcc.8b01725, 2018.
Khazaei, S. and Sebastiani, D.: Methyl rotor quantum states and the effect
of chemical environment in organic crystals:
γ-picoline and toluene, J. Chem. Phys., 145, 234506, https://doi.org/10.1063/1.4971380, 2016.
Khazaei, S. and Sebastiani, D.: Tunneling of coupled methyl quantum rotors
in 4-methylpyridine: Single rotor potential versus coupling interaction, J.
Chem. Phys., 147, 194303, https://doi.org/10.1063/1.5003081, 2017.
Kiryutin, A. S., Korchak, S. E., Ivanov, K. L., Yurkovskaya, A. V., and
Vieth, H.-M.: Creating Long-Lived Spin States at Variable Magnetic Field by
Means of Photochemically Induced Dynamic Nuclear Polarization, J. Phys.
Chem. Lett., 3, 1814–1819, https://doi.org/10.1021/jz3005046, 2012.
Kiryutin, A. S., Sauer, G., Yurkovskaya, A. V., Limbach, H.-H., Ivanov, K.
L., and Buntkowsky, G.: Parahydrogen Allows Ultrasensitive Indirect NMR
Detection of Catalytic Hydrogen Complexes, J. Phys. Chem. C, 121,
9879–9888, https://doi.org/10.1021/acs.jpcc.7b01056, 2017.
Kjeldsen, C., Ardenkjær-Larsen, J. H., and Duus, J. Ø.: Discovery of
Intermediates of
lacZ β-Galactosidase Catalyzed Hydrolysis Using dDNP NMR, J. Am. Chem. Soc., 140, 3030–3034, https://doi.org/10.1021/jacs.7b13358, 2018.
Köckenberger, W. and Matysik, J.: Hyperpolarization Methods and
Applications in NMR, in Encyclopedia of Spectroscopy and Spectrometry,
edited by: Lindon, J. C., Elsevier, Amsterdam, 963–970, 2010.
Korchak, S. E., Ivanov, K. L., Yurkovskaya, A. V., and Vieth, H.-M.:
Para-hydrogen induced polarization in multi-spin systems studied at variable
magnetic field, Phys. Chem. Chem. Phys., 11, 11146–11156,
https://doi.org/10.1039/b914188j, 2009.
Kovtunov, K. V., Pokochueva, E. V., Salnikov, O. G., Cousin, S. F.,
Kurzbach, D., Vuichoud, B., Jannin, S., Chekmenev, E. Y., Goodson, B. M.,
Barskiy, D. A., and Koptyug, I. V.: Hyperpolarized NMR Spectroscopy:
d-DNP,
PHIP, and SABRE Techniques, Chem. Asian J., 13, 1857–1871,
https://doi.org/10.1002/asia.201800551, 2018.
Kuc, A., Enyashin, A., and Seifert, G.: Metal-Organic Frameworks: Structural,
Energetic, Electronic, and Mechanical Properties, J. Phys. Chem. B, 111,
8179–8186, https://doi.org/10.1021/jp072085x, 2007.
Kwon, H. T., Jeong, H.-K., Lee, A. S., An, H. S., and Lee, J. S.:
Heteroepitaxially Grown Zeolitic Imidazolate Framework Membranes with
Unprecedented Propylene/Propane Separation Performances, J. Am. Chem. Soc.,
137, 12304–12311, https://doi.org/10.1021/jacs.5b06730, 2015.
Li, Q., Zaczek, A. J., Korter, T. M., Zeitler, J. A., and Ruggiero, M. T.:
Methyl-rotation dynamics in metal–organic frameworks probed with terahertz
spectroscopy, Chem. Commun., 54, 5776–5779, https://doi.org/10.1039/C8CC02650E, 2018.
Lilly Thankamony, A. S., Wittmann, J. J., Kaushik, M., and Corzilius, B.:
Dynamic nuclear polarization for sensitivity enhancement in modern
solid-state NMR, Prog. Nucl. Mag. Res. Sp., 102–103, 120–195,
https://doi.org/10.1016/j.pnmrs.2017.06.002, 2017.
Lohstroh, W. and Evenson, Z.: TOFTOF: Cold neutron time-of-flight
spectrometer, Journal of large-scale research facilities JLSRF, 1, A15,
https://doi.org/10.17815/jlsrf-1-40, 2015.
Meier, B.: Quantum-rotor-induced polarization, Magn. Reson. Chem., 56,
610–618, https://doi.org/10.1002/mrc.4725, 2018.
Meier, B., Dumez, J.-N., Stevanato, G., Hill-Cousins, J. T., Roy, S. S.,
Håkansson, P., Mamone, S., Brown, R. C. D., Pileio, G., and Levitt, M.
H.: Long-Lived Nuclear Spin States in Methyl Groups and Quantum-Rotor-Induced Polarization, J. Am. Chem. Soc., 135, 18746–18749, https://doi.org/10.1021/ja410432f, 2013.
Meier, B., Kouril, K., Bengs, C., Kourilová, H., Barker, T. C., Elliott,
S. J., Alom, S., Whitby, R. J., and Levitt, M. H.: Spin-Isomer Conversion of
Water at Room Temperature and Quantum-Rotor-Induced Nuclear Polarization in
the Water-Endofullerene H
2O@C
60, Phys. Rev. Lett., 120, 266001,
https://doi.org/10.1103/PhysRevLett.120.266001, 2018.
Milani, J., Vuichoud, B., Bornet, A., Miéville, P., Mottier, R., Jannin,
S., and Bodenhausen, G.: A magnetic tunnel to shelter hyperpolarized fluids,
Rev. Sci. Instrum., 86, 024101, https://doi.org/10.1063/1.4908196, 2015.
Morris, W., Stevens, C. J., Taylor, R. E., Dybowski, C., Yaghi, O. M., and
Garcia-Garibay, M. A.: NMR and X-ray Study Revealing the Rigidity of
Zeolitic Imidazolate Frameworks, J. Phys. Chem. C, 116, 13307–13312,
https://doi.org/10.1021/jp303907p, 2012.
Ni, Q. Z., Daviso, E., Can, T. V., Markhasin, E., Jawla, S. K., Swager, T.
M., Temkin, R. J., Herzfeld, J., and Griffin, R. G.: Hig
h Frequency Dynamic
Nuclear Polarization, Acc. Chem. Res., 46, 1933–1941,
https://doi.org/10.1021/ar300348n, 2013.
Norquay, G., Collier, G. J., Rao, M., Stewart, N. J., and Wild, J. M.:
129Xe-Rb Spin-Exchange Optical Pumping with High Photon Efficiency, Phys. Rev. Lett., 121, 153201, https://doi.org/10.1103/PhysRevLett.121.153201, 2018.
Ohms, U., Guth, H., Treutmann, W., Dannöhl, H., Schweig, A., and Heger,
G.: Crystal structure and charge density of 4-methylpyridine (
C6H7N) at 120 K, J. Chem. Phys., 83, 273–279, https://doi.org/10.1063/1.449820, 1985.
Prager, M. and Heidemann, A.: Rotational Tunneling and Neutron Spectroscopy:
A Compilation, Chem. Rev., 97, 2933–2966, https://doi.org/10.1021/cr9500848, 1997.
Rehm, M., Frank, M., and Schatz, J.: Water-soluble
calixarenes–self-aggregation and complexation of noncharged aromatic
guests in buffered aqueous solution, Tetrahedron Lett., 50, 93–96,
https://doi.org/10.1016/j.tetlet.2008.10.089, 2009.
Reilly, A. M. and Tkatchenko, A.: Role of Dispersion Interactions in the
Polymorphism and Entropic Stabilization of the Aspirin Crystal, Phys. Rev.
Lett., 113, 055701, https://doi.org/10.1103/PhysRevLett.113.055701, 2014.
Sosnovsky, D. V., Lukzen, N. N., Vieth, H.-M., Jeschke, G., Gräsing, D.,
Bielytskyi, P., Matysik, J., and Ivanov, K. L.: Magnetic field and
orientation dependence of solid-state CIDNP, J. Chem. Phys., 150, 094105,
https://doi.org/10.1063/1.5077078, 2019.
Tarasi, S., Tehrani, A. A., and Morsali, A.: The effect of methyl group
functionality on the host-guest interaction and sensor behavior in
metal-organic frameworks, Sensor. Actuat. B-Chem., 305, 127341,
https://doi.org/10.1016/j.snb.2019.127341, 2020.
Tian, Y.-Q., Zhao, Y.-M., Chen, Z.-X., Zhang, G.-N., Weng, L.-H., and Zhao,
D.-Y.: Design and Generation of Extended Zeolitic Metal–Organic Frameworks
(ZMOFs): Synthesis and Crystal Structures of Zinc(II) Imidazolate Polymers
with Zeolitic Topologies, Chem.-Eur. J., 13, 4146–4154,
https://doi.org/10.1002/chem.200700181, 2007.
Ullah, Z., Bustam, M. A., Man, Z., Muhammad, N., and Khan, A. S.: Synthesis,
characterization and the effect of temperature on different physicochemical
properties of protic ionic liquids, RSC Adv., 5, 71449–71461,
https://doi.org/10.1039/C5RA07656K, 2015.
van der Putten, D., Diezemann, G., Fujara, F., Hartmann, K., and Sillescu,
H.: Methyl group dynamics in a-crystallized toluene as studied by deuteron
spin–lattice relaxation, J. Chem. Phys., 96, 1748–1757,
https://doi.org/10.1063/1.462130, 1992.
Vega, A. J. and Fiat, D.: Nuclear relaxation processes of paramagnetic
complexes The slow-motion case, Mol. Phys., 31, 347–355,
https://doi.org/10.1080/00268977600100261, 1976.
Walker, T. G.: Fundamentals of Spin-Exchange Optical Pumping, J. Phys. Conf.
Ser., 294, 012001, https://doi.org/10.1088/1742-6596/294/1/012001, 2011.
Wang, J., Chen, S.-B., Wang, S.-G., and Li, J.-H.: A Metal-Free and Ionic
Liquid-Catalyzed Aerobic Oxidative Bromination in Water, Aust. J. Chem.,
68, 513–517, https://doi.org/10.1071/CH14161, 2015.
Wang, Y. and Yan, H.: Crystal structure of
(E)-
N′-(3,4-difluorobenzylidene)-4-methylbenzenesulfonohydrazide, Acta
Crystallogr. E, 71, o761, https://doi.org/10.1107/S2056989015016205, 2015.
Wang, Z. J., Ohliger, M. A., Larson, P. E. Z., Gordon, J. W., Bok, R. A.,
Slater, J., Villanueva-Meyer, J. E., Hess, C. P., Kurhanewicz, J., and
Vigneron, D. B.: Hyperpolarized
13C MRI: State of the Art and Future
Directions, Radiology, 291, 273–284, https://doi.org/10.1148/radiol.2019182391, 2019.
Zhou, W., Wu, H., Udovic, T. J., Rush, J. J., and Yildirim, T.: Quasi-Free
Methyl Rotation in Zeolitic Imidazolate Framework-8, J. Phys. Chem. A,
112, 12602–12606, https://doi.org/10.1021/jp807033m, 2008.