Edison-Lecks Science Building, 118A
DegreesJohannes Gutenberg University Mainz, Ph.D.
Johannes Gutenberg University Mainz, Diploma
ExpertiseSolid-state NMR and structure determination of complex organic materials; NMR technique development; simulation of scattering data; basic thermodynamics
ProfileWe study the composition, dynamics, and nanoscale structure of complex materials, in particular semicrystalline polymers, carbon materials, nanocomposites, natural organic matter, and thermoelectric tellurides, using a variety of selective or two-dimensional nuclear magnetic resonance (NMR) experiments, many of which were developed by us. We have also introduced new methods for quantitative analysis of scattering data of nanostructured materials. This dual approach has enabled us to “solve” important aspects of the structure of the Nafion fuel-cell membrane and of the nanocomposite in bone. Based on these structural insights, we strive to understand the materials properties and sometimes propose improved synthesis or processing conditions.
We also examine basic aspects of classical thermodynamics. In particular, we have re-analyzed irreversible processes, which are not treated correctly in most textbooks. In addition, we have worked out the first valid explanation (to our knowledge) why fire is always hot, regardless of the fuel.
|BCBP||297b||Master's Lab Research II|
|CHEM||15b||Honors General Chemistry II|
|CHEM||142a||Quantum Mechanics and Spectroscopy|
|CHEM||240b||Physical Chemistry Seminar|
|CHEM||250b||Biophysical Chemistry Seminar|
|CHEM||260b||Materials Chemistry Seminar|
Awards and Honors
American Physical Society Fellow (2013)
Iowa State University Award for Outstanding Career Achievement in Research (2009)
American Association for the Advancement of Science (AAAS) Fellow (2008)
Dillon Medal (Polymer Division, American Physical Society) (2001)
Alfred P. Sloan Research Fellowship (2000)
Beckman Young Investigator Award (1996)
Rudolf-Kaiser Prize (German Physical Society) (1996)
Postdoctoral Fellowship (BASF AG & German Natl. Scholarship Foundation) (1993 - 1995)
Dieter-Rampacher Prize (1991)
Dissertation "summa cum laude" (1991)
Otto-Hahn Medal of the Max-Planck Society (1991)
Diploma "with excellence" (1989)
X-Y. Cao, C. Lattao, K. Schmidt-Rohr, J-D. Mao, J. J. Pignatello. "Investigation of Sorbate-Induced Plasticization of Pahokee Peat by Solid-State NMR Spectroscopy." J. Soil Sediments (2016). (forthcoming)
X-Y. Cao, G. R. Aiken, R. G. Spencer, J-D. Mao, K. Schmidt-Rohr. "Novel insights from NMR spectroscopy into seasonal changes in the composition of dissolved organic matter exported to the Bering Sea by the Yukon River." Geochim. Geophys. Acta (2016). (forthcoming)
Zhang, Honghu; Liu, Xunpei; Feng, Shuren; Wang, Wenjie; Schmidt-Rohr, Klaus; Akinc, Mufit; Nilsen-Hamilton, Marit; Vaknin, David; Mallapragada, Surya. "Morphological Transformations in the Magnetite Biomineralizing Protein Mms6 in Iron Solutions: A Small-Angle X-ray Scattering Study." Langmuir 31. (2015): 2818-2825. (forthcoming)
K. J. Fritzsching, M. Hong, K. Schmidt-Rohr. "Conformationally Selective Multidimensional Chemical Shift Ranges in Proteins from a PACSY Database Purged Using Intrinsic Quality Criteria." J. Biomol. NMR 64. (2016): 115-130.
R.L. Johnson, T. J. Schwartz, J. A. Dumesic, K. Schmidt-Rohr. "Methionine Bound to Pd/γ-Al2O3 Catalysts Studied by Solid-State 13C NMR." Solid State NMR 72. (2016): 118-126.
S. Burgess, A. Kassie, S. Baranowski, K. J. Fritzsching, K. Schmidt-Rohr, C. Brown, C. Wade. "Improved Catalytic Activity and Stability of a Palladium Pincer Complex by Incorporation into a Metal-organic Framework." J. Am. Chem. Soc. 138. (2016): 1780-1783.
E.M. Levin, K. Schmidt-Rohr, J. Cui, R. Hanus, T. Riedermann, Q. Xing, T. Lograsso. "Phase analysis and determination of local charge carrier concentration in multiphase magnesium-silicide system." Materials Chemistry and Physics 158. (2015): 1-9.
H. Pham, A. E. Anderson, R. L. Johnson, T. J. Schwartz, B. J. O’Neill, P. Duan, K. Schmidt-Rohr, J. A. Dumesic, A. K. Datye. "Carbon Overcoating of Supported Metal Catalysts for Improved Hydrothermal Stability." ACS Catalysis 5. (2015): 4546-4555.
J. K. Williams, K. Schmidt-Rohr, M. Hong. "Aromatic spectral editing techniques for magic-angle spinning solid-state NMR spectroscopy of uniformly 13C-labeled proteins." Solid State NMR 72. (2015): 118-126.
K. Schmidt-Rohr, J. Cui. "Reply to a Comment on “Quantification of C=C and C=O Surface Carbons in Nanodiamond by NMR”." J. Phys. Chem. C 119. (2015): 21288–21291.
Schmidt-Rohr, Klaus. "Why Combustions Are Always Exothermic, Yielding About 418 kJ per Mole of O_2." J. Chem. Educ. 92. (2015): 2094-2099.
T. Wang, J. K. Williams, K. Schmidt-Rohr, M. Hong. "Relaxation-Compensated Difference Spin Diffusion NMR for Detecting 13C-13C Long-Range Correlations in Proteins and Polysaccharides." Journal of Biomolecular NMR 61. (2015): 97-107.
C. Lattao, X-Y. Cao, J-D. Mao, K. Schmidt-Rohr, J. Pignatello. "Influence of Molecular Structure and Adsorbent Properties on Sorption of Organic Compounds to a Temperature Series of Wood Chars." Environmental Science & Technology 48. (2014): 4790-4798.
J-F. Cui, X-W. Fang, K. Schmidt-Rohr. "Quantification of C=C and C=O Surface Carbons in Nanodiamond by NMR." Journal of Chemical Physics C 118. (2014): 9612-9627.
J. M. Anderson, R. L. Johnson, K. Schmidt-Rohr, B. H. Shanks. "Hydrothermal Degradation of Model Sulfonic Acid Compounds: Probing the Relative Sulfur–Carbon Bond Strength." Catalysis Communications 51. (2014): 33-36.
J. M. Anderson, R. L. Johnson, K. Schmidt-Rohr, B. H. Shanks. "Solid State NMR of Chemical Structure and Hydrothermal Deactivation of Moderate-Temperature Carbon Materials with Acidic SO3H Sites." Carbon 74. (2014): 333-345.
J. R. Helms, J-D. Mao, A. Stubbins, K. Schmidt-Rohr, R. Spencer, P. Hernes, K. Mopper. "Loss of optical and molecular indicators of terrigenous dissolved organic matter during long-term photobleaching." Aquatic Sciences 76. (2014): 353-373.
Levin, Evgenii, Kramer, M., Schmidt-Rohr, Klaus. "Local Composition and Carrier Concentration in Pb0.7Ge0.3Te and Pb0.5Ge0.5Te Alloys from 125Te NMR and Microscopy." J. Phys. Chem. Solids 75. (2014): 4790-4798.
R. L. Johnson, J. M. Anderson, B. H. Shanks, Schmidt-Rohr, Klaus. "Simple one-step synthesis of aromatic-rich materials with high concentrations of hydrothermally stable catalytic sites, validated by NMR." Chemistry of Materials 26. (2014): 5523-5532.
T. Schwartz, R. L. Johnson, J. Cardenas, A. Okerlund, N. A. DaSilva, K. Schmidt-Rohr, J. Dumesic. "Engineering Catalyst Microenvironments for Metal-Catalyzed Hydrogenation of Biologically-Derived Platform Chemicals." Angewandte Chemie, International Edition 53. (2014): 12718-12722.
X-Y. Cao, C. Lattao, J. Pignatello, J-D. Mao, Schmidt-Rohr, Klaus. "Sorption Selectivity in Natural Organic Matter Probed with Carbonyl-13C-Labeled Benzophenone and 1H-13C NMR Spectroscopy." Environ. Sci. Technol. 48. (2014): 8645-8652.
Z. Zhou, X. Cao, K. Schmidt-Rohr, D. C. Olk, S. Zhuang, J. Zhou, Z. Cao, J-D. Mao. "Similarities in chemical composition of soil organic matter across a millennia-old paddy soil chronosequence as revealed by advanced solid-state NMR spectroscopy." Biol. Fertil. Soils 50. (2014): 571-581.