Publikationen

Wissenschaftliche Publikationen
über Festkörper-NMR-Spektroskopie und Materialforschung
aus den Jahren 1997 bis 2006

[1] M. Feike, R. Graf, I. Schnell, C. Jäger, H. W. Spiess, „Structure of Crystalline Phosphates from 31P Double-Quantum Spectroscopy“, J. Am. Chem. Soc. 118, 9631 (1996). dx.doi.org/10.1021/ja9619871

[2] H. Geen, J. Gottwald, R. Graf, I. Schnell, H. W. Spiess, J. J. Titman, „Elucidation of Dipolar Coupling Networks under Magic-Angle Spinning“, J. Magn. Reson. 125, 224 (1997). dx.doi.org/10.1006/jmre.1997.1104

[3] W. A. Dollase, M. Feike, H. Förster, T. Schaller, I. Schnell, A. Sebald, S. Steuernagel,  „A 2D 31P MAS NMR Study of Polycrystalline Cd3(PO4)2“, J. Am. Chem. Soc. 119, 3807 (1997). dx.doi.org/10.1021/ja9636808

[4] I. Schnell, A. Lupulescu, S. Hafner, D. E. Demco, H. W. Spiess, „Resolution Enhancement in Multiple-Quantum MAS NMR Spectroscopy“,  J. Magn. Reson. 133, 61 (1998). dx.doi.org/10.1006/jmre.1998.1432

[5] U. Friedrich, I. Schnell, D. E. Demco, H. W. Spiess, „Triple-Quantum NMR Spectroscopy in Dipolar Solids“, Chem. Phys. Lett. 285, 49 (1998).dx.doi.org/10.1016/S0009-2614(97)01292-X

[6] I. Schnell, S. P. Brown, H. Y. Low, H. Ishida, H. W. Spiess,  „An Investigation of Hydrogen Bonding in Benzoxazine Dimers by Fast Magic-Angle Spinning and Double-Quantum 1H NMR Spectroscopy“, J. Am. Chem. Soc. 120, 11784 (1998). dx.doi.org/10.1021/ja982766t

[7] U. Friedrich, I. Schnell, S. P. Brown, A. Lupulsecu, D. E. Demco, H. W. Spiess, „Spinning-Sideband Patterns in Multiple-Quantum Magic-Angle Spinning NMR Spectroscopy“, Mol. Phys. 95, 1209 (1998).

[8] C. Filip, S. Hafner, I. Schnell, D. E. Demco, H. W. Spiess, „Solid-State Nuclear Magnetic Resonance Spectra of Dipolar-Coupled Multi-Spin Systems under Fast Magic-Angle Spinning“, J. Chem. Phys. 110, 423 (1999).dx.doi.org/10.1063/1.478135

[9] B. Langer, I. Schnell, H. W. Spiess, A.-R. Grimmer, „Temperature Calibration Under Ultra-Fast MAS Conditions“, J. Magn. Reson. 138, 182 (1999). dx.doi.org/10.1006/jmre.1999.1717

[10] H. Geen, R. Graf, A. S. D. Heindrichs, B. S. Hickman, I. Schnell, H. W. Spiess, J. J. Titman, „Spin Counting with Fast MAS“, J. Magn. Reson. 138, 167 (1999). dx.doi.org/10.1006/jmre.1999.1711

[11] S. P. Brown, I. Schnell, J. D. Brand, K. Müllen, H. W. Spiess, „An Investigation of pi-pi Packing in a Columnar Hexabenzocoronene by Fast Magic-Angle Spinning and Double-Quantum 1H Solid-State NMR Spectroscopy“,  J. Am. Chem. Soc. 121, 6712 (1999). dx.doi.org/10.1021/ja990637m

[12] S. P. Brown, I. Schnell, J. D. Brand, K. Müllen, H. W. Spiess, „A 1H Double-Quantum Magic-Angle Spinning Solid-State NMR Investigation of Packing and Dynamics in Triphenylene and Hexabenzocoronene Derivatives“, J. Mol. Struct. 521, 179-195 (2000). dx.doi.org/10.1016/S0022-2860(99)00434-2

[13] S. P. Brown, I. Schnell, J. D. Brand, K. Müllen, H. W. Spiess, „The Competing Effects of pi-pi Packing and Hydrogen Bonding in a Hexabenzocoronene Carboxylic Acid Derivative: A 1H Solid-State MAS NMR Investigation“,  Phys. Chem. Chem. Phys. 2, 1735-1745 (2000). dx.doi.org/10.1039/a909814c

[14] C. Ochsenfeld, S. P. Brown, I. Schnell, J. Gauss, H. W. Spiess, „Structure assignment in the solid state by coupling quantum chemical calculations and  NMR experiments: columnar hexabenzocoronenederivatives“, J. Am. Chem. Soc. 123, 2597-2606 (2001). dx.doi.org/10.1021/ja0021823

[15] I. Schnell, A. Watts, H. W. Spiess, „Double-Quantum Double-Quantum MAS Exchange NMR Spectroscopy: Dipolar Coupled Spin-Pairs as Probes for Slow Molecular Dynamics“,  J. Magn. Reson. 149, 90-102 (2001).dx.doi.org/10.1006/jmre.2001.2290

[16] I. Schnell, A. Watts, „Towards Selective Recoupling and Mutual Decoupling of Dipolar-Coupled Spin Pairs in Double-Quantum Magic-Angle Spinning NMR Experiments on Multiply Labelled Solid-State Samples“, Chem. Phys. Lett. 335, 111-122 (2001). dx.doi.org/10.1016/S0009-2614(01)00027-6

[17] I. Schnell, B. Langer, S. H. M. Söntjens, M. H. P. van Genderen,  R. P. Sijbesma, H. W. Spiess, „Inverse Detection and Heteronuclear Editing in 1H-15N Correlation and 1H-1H Double-Quantum Spectroscopy in the Solid State under Fast MAS“, J. Magn. Reson. 150, 57-70 (2001). dx.doi.org/10.1006/jmre.2001.2312

[18] I. Schnell, H. W. Spiess, „High-Resolution 1H NMR Spectroscopy in the Solid State: Very-Fast Sample Spinning and Multiple-Quantum Coherences“,  J. Magn. Reson. – Adv. Magn. Reson. 151, 153-227 (2001). dx.doi.org/10.1006/jmre.2001.2336

[19] G. R. Goward, I. Schnell, S. P. Brown, H.-D. Kim, H. Ishida, H. W. Spiess, „Investigation of a N···H Hydrogen Bond in a Solid Benzoxazine Dimer by 1H-15N NMR Correlation Techniques Under Fast MAS“, Magn. Reson. Chem. 39, S5-S17 (2001). dx.doi.org/10.1002/mrc.931

[20] K. Thieme, G. Zech, H. Kunz, H. W. Spiess, I. Schnell, Dipolar Recoupling in NOESY-Type 1H-1H NMR Experiments underHRMAS Conditions” Org. Lett. 4, 1559-1562 (2002). dx.doi.org/10.1021/ol025782a

[21] I. Schnell and K. Saalwächter, 15N-1H Bond Length Determination in Natural Abundance by Inverse Detection in Fast-MAS Solid-State NMR Spectroscopy”, J. Am. Chem. Soc. 124, 10938-10939 (2002). dx.doi.org/10.1021/ja026657x

[22] I. Schnell, B. Langer, S. H. M. Söntjens, M. H. P. van Genderen, R. P. Sijbesma, H. W. Spiess, „Quadruple Hydrogen-Bonds of Ureido-Pyrimidinone Moieties Investigated in the Solid State by 1H Double-Quantum MAS NMR Spectroscopy“,Phys. Chem. Chem. Phys. 4, 3750-3758 (2002). dx.doi.org/10.1039/b203333j

[23] K. Saalwächter and I. Schnell , “REDOR-Based Heteronuclear Dipolar Correlation Experiments in Multi-Spin Systems: Rotor-Encoding, Directing,and Multiple Distance and Angle Determination, Solid State Nucl. Magn. Reson.22, 154-187 (2002).dx.doi.org/10.1006/snmr.2002.0079

[24] G. R. Goward, M. F. H. Schuster, D. Sebastiani, I. Schnell, H. W. Spiess, High-Resolution Solid-State NMR Studies of Imidazole-Based Proton Conductors: Structure Motifs and Chemical Exchange from 1H NMR”, J. Phys. Chem. B 106, 9322-9334 (2002). dx.doi.org/10.1021/jp0259521

[25] D. Sebastiani , G. R. Goward, I. Schnell, M. Parrinello, „NMR chemical shifts in periodic systems fromfirst principles“, Comp. Phys. Comm. 147, 707-710 (2002). dx.doi.org/10.1016/S0010-4655(02)00378-8

[26] V. Percec, M. Glodde, T. K. Bera, Y. Miura, I. Shiyanovskaya, K. D. Singer, V. S. K. Balagurusamy, P. A. Heiney, I. Schnell, A. Rapp, H. W. Spiess, S. D. Hudson, H. Duan, „Self-organization of supramolecular helical dendrimers into complex electronic materials“, Nature 419, 384-387 (2002). journal online PDF

[27] G. R. Goward, D. Sebastiani, I. Schnell, H. W. Spiess, H.-D. Kim, H. Ishida, „Benzoxazine Oligomers: Evidence for a Helical Structure From Solid-State NMR Spectroscopy and DFT-Based Dynamics and Chemical Shift Calculations“, J. Am. Chem. Soc. 125, 5792-5800 (2003). dx.doi.org/10.1021/ja029059r

[28] D. Sebastiani, G. R. Goward, I. Schnell, H. W. Spiess, „NMR chemical shifts in proton conducting crystals from first principles“, J. Mol. Struct. (Theochem) 625, 283-288 (2003). dx.doi.org/10.1016/S0166-1280(03)00030-7

[29] I. Fischbach, K. Thieme, A. Hoffmann, M. Hehn, I. Schnell, „PFG-Assisted Suppression and Selection of 1H NMR Signals in the Solid-State under Fast MAS“, J. Magn. Reson. 65, 102-115 (2003). dx.doi.org/10.1016/j.jmr.2003.07.002

[30] K. Thieme, I. Schnell, „Determination of long-range distances and dynamic order parameters by dipolar recoupling in high-resolution magic-angle spinning NMR spectroscopy“, J. Am. Chem. Soc. 125, 12100-12101 (2003).  x.doi.org/10.1021/ja037374n

[31] A. Rapp, I. Schnell, D. Sebastiani, S. P. Brown, V. Percec, H. W. Spiess, „Supramolecular Assembly of Dendritic Polymers Elucidated by 1H and 13C Solid-State MAS NMR Spectroscopy“, J. Am. Chem. Soc. 125, 13284-13297 (2003). dx.doi.org/10.1021/ja035

[32] P. Papadopoulos, G. Floudas, H.-A. Klok, I. Schnell, T. Pakula, „Self-assembly and dynamics of Poly(g-benzyl-L-glutamate) (PBLG) peptides“, Biomacromolecules 5, 81-91 (2004). dx.doi.org/10.1021/bm034291q

[33] M. Fischer, G. Lieser, A. Rapp, I. Schnell, W. Mamdouh, S. De Feyter, F. De Schryver, S. Höger, Shape-Persistent Macrocycles with Intraannular Polar Groups: Synthesis, Liquid Crystallinity and 2D Organization”, J. Am. Chem. Soc. 126, 214-222 (2004). dx.doi.org/10.1021/ja038484x

[34] I. Fischbach, F. Ebert, H. W. Spiess, I. Schnell, „Rotor Modulations and Recoupling Strategies in 13C Solid-State MAS NMR: Probing Molecular Orientation and Dynamics“, ChemPhysChem 5, 895-908 (2004). dx.doi.org/10.1002/cphc.200301053

[35] E. Díez-Peña, I. Quijada-Garrido, J. M. Barrales-Rienda, I. Schnell, H. W. Spiess, „Advanced 1H solid-state NMR spectroscopy on hydrogels (I): The effect of hydrogen bonding in the collapse of poly(methacrylic acid) (PMAA) hydrogel“, Macromol. Chem. Phys. 205, 430-437 (2004). dx.doi.org/10.1002/macp.200300075

[36] E. Díez-Peña, I. Quijada-Garrido, J. M. Barrales-Rienda, I. Schnell, H. W. Spiess, „Advanced 1H solid-state NMR spectroscopy on hydrogels (II): The formation of hydrogen bonds in hydrogels based on N-isopropylacrylamide (NiPAAm) and methacrylic acid (MAA)“, Macromol. Chem. Phys. 205, 438-447 (2004). dx.doi.org/10.1002/macp.200300074

[37] A. Hoffmann, D. Sebastiani, E. Sugiono, S. Yun, K. S. Kim, H. W. Spiess, I. Schnell, „Solvent Molecules Trapped in Supramolecular Organic Nanotubes: A Combined Solid-State NMR and DFT Study“, Chem. Phys. Lett. 388, 164-169 (2004). dx.doi.org/10.1016/j.cplett.2004.02.098

[38] A. Hoffmann, I. Schnell, „Two-dimensional double-quantum 2H NMR spectroscopy in the solid state under OMAS conditions: Correlating 2H chemical shifts with pseudostatic lineshapes“, ChemPhysChem 5, 966-974 (2004). dx.doi.org/10.1002/cphc.200301215

[39] S. Renker, S. Mahajan, D. T. Babski, I. Schnell, A. Jain, J. Gutmann, Y. Zhang, S. M.Gruner, H. W. Spiess, U. Wiesner, „Nanostructure and shape control in polymer-ceramic hybrids from poly(ethylene oxide-block-n-hexyl methacrylate) and aluminosilicates derived from them“, Macromol. Chem. Phys. 205, 1021-1030 (2004). dx.doi.org/10.1002/macp.200300249

[40] A. Wahl, I. Schnell, U. Pyell, „Capillary Electrochromatography with Polymeric Continuous Beds Synthesized via Free Radical Polymerization in Aqueous Media using Derivatized Cyclodextrins as Solubilizing Agents“, J. Chromatogr. A 1044, 211-222 (2004). dx.doi.org/10.1016/j.chroma.2004.05.093

[41] I. Schnell, „Dipolar Recoupling in Fast-MAS Solid-State NMR Spectroscopy“, Progr. Nucl. Magn. Reson. Spectr. 45, 145-207 (2004). dx.doi.org/10.1016/j.pnmrs.2004.06.003

[42] M. Schulz-Dobrick, T. Metzroth, H. W. Spiess, J. Gauss, I. Schnell, „Determining the Geometry of Hydrogen Bonds in Solids with Picometer Accuracy by Quantum-Chemical Calculations and NMR Spectroscopy“, ChemPhysChem 6, 1-13 (2005). dx.doi.org/10.1002/cphc.200400338

[43] I. Schnell, „Merging Concepts from Liquid-State and Solid-State NMR Spectroscopy for the Investigation of Supra- and Biomolecular Systems“, Curr. Anal. Chem. 1 (2005), 3-27. dx.doi.org/10.2174/1573411052948415, freies PDF

[44] M. Schulz-Dobrick, I. Schnell, „2H Chemical-Shift Resolution and Dipolar 2H-1H and 2H-15N Correlations in Solid-State MAS NMR Spectroscopy for Structure Determination and Distance Measurements in Hydrogen-Bonded Systems“, Centr. Eur. J. Chem. 3, no. 2 (2005). dx.doi.org/10.2478/BF02476003

[45] S. Höger, X. Hong Cheng, A.-D. Ramminger, V. Enkelmann, A. Rapp, M. Mondeshki, I. Schnell, „Discotic Liquid Crystals with an Inverted Structure“, Angew. Chem. Int. Ed. 44, 2801-2805 (2005). dx.doi.org/10.1002/anie.200462319

[46] P. Papadopoulos, G. Floudas, I. Schnell, H.-A. Klok, T. Aliferis, H. Iatrou, N. Hadjichristidis, „‚Glass transition‘ in peptides: Temperature and pressure effects“, J. Chem. Phys. 122, 224906 (2005). dx.doi.org/10.1063/1.1931657

[47] P. Papadopoulos, G. Floudas, I. Schnell, T. Aliferis, H. Iatrou, N. Hadjichristidis, „Nanodomain-induced chain folding in poly(g-benzyl-L-glutamate)-b-polyglycine diblock copolymers“, Biomacromolecules 6, 2352 (2005). dx.doi.org/10.1021/bm0501860

[48] Y. Rudzevich, V. Rudzevich, C. Moon, I. Schnell, K. Fischer, V. Böhmer, „Self-Assembly of Programmed Building Blocks into Structurally Uniform Dendrimers”, J. Am. Chem. Soc. 127, 14168 (2005). dx.doi.org/10.1021/ja055357n

[49] D. Wasserfallen, I. Fischbach, N. Chebotareva, M. Kastler, W. Pisula, F. Jäckel, M. D. Watson, I. Schnell, J. P. Rabe, H. W. Spiess, K. Müllen, “Influence of Hydrogen-Bonds on the Supramolecular Order of Hexa-peri-hexabenzocoronene, Adv. Funct. Mater. 15, 1585 (2005). dx.doi.org/10.1002/adfm.200500124

[50] P. Papadopoulos, G. Floudas, I. Schnell, I. Lieberwirth, T. Q. Nguyen, H. A. Klok, „Thermodynamic Confinement and alpha-Helix Persistence Length in Poly(gamma-benzyl-L-glutamate)-b-poly(dimethyl siloxane)-b-poly(gamma-benzyl-L-glutamate) Triblock Copolymers“, Biomacromolecules 7, 618 (2006). dx.doi.org/10.1021/bm050772t

[51] W. Pisula, M. Kastler, D. Wasserfallen, M. Mondeshki, J. Piris, I. Schnell, K. Müllen, „Relation between supramolecular order and charge carrier mobility of branched alkyl hexa-peri-hexabenzocoronenes“, Chem. Mat. 18, 3634 (2006). dx.doi.org/10.1021/cm0602343

[52] V. Percec, M. Glodde, M. Peterca, A. Rapp, I. Schnell, H. W. Spiess, T. K. Bera, Y. Miura, V. S. K. Balagurusamy, E. Aqad, P. A. Heiney, „Self-Assembly of Semifluorinated Dendrons Attached to Electron-Donor Groups Mediates Their p-Stacking via a Helical Pyramidal Column“, Chem. Eur. J. 12, 6298 (2006) dx.doi.org/10.1002/chem.200501195

[53] K. Lienkamp, I. Schnell, F. Gröhn, G. Wegner, „Polymerization of Styrene Sulfonate Ethyl Ester by ATRP: Synthesis and Characterization of Macromonomers for Suzuki Polycondensation“, Macromol. Chem. Phys. 207, 2066 (2006). dx.doi.org/10.1002/macp.200600322

[54] A. Wahl, F. Al-Rimawi, I. Schnell, O. Kornysova, A. Maruska, U. Pyell, „Synthesis of a polyrotaxane-based macroporous polymer as stationary phase for capillary electrochromatography via host-guest complexation of N,N -ethylenedianilinediacrylamide with statistically methylated cyclodextrin“, J. Sep. Sci. 31, 1519 (2008). dx.doi.org/10.1002/jssc.200700632