List of works - Hans-Heinrich Limbach

13C detected scalar nitrogen-nitrogen couplings across the intramolecular symmetric NHN hydrogen bond of proton sponge

scientific article published in May 2001

15N nuclear magnetic resonance studies of acid-base properties of pyridoxal-5'-phosphate aldimines in aqueous solution.

scientific article

1H/2H NMR Studies of Geometric H/D Isotope Effects on the Coupled Hydrogen Bonds in Porphycene Derivatives

scientific article published on 01 January 2007

2H NMR calculations on polynuclear transition metal complexes: on the influence of local symmetry and other factors

scientific article published on 12 October 2011

2H solid-state NMR of ruthenium complexes

scientific article published in December 2008

2H-solid-state-NMR study of hydrogen adsorbed on catalytically active ruthenium coated mesoporous silica materials

scientific article published on 13 March 2009

6-Aminofulvene-1-aldimine: A Model Molecule for the Study of Intramolecular Hydrogen Bonds

scientific article published in January 2001

6-Aminofulvene-1-aldimine: A Model Molecule for the Study of Intramolecular Hydrogen Bonds We are indebted to DGES/MEC (PB96-0001-C03) and Comunidad de Madrid (grant no. 07N/0001/1999) of Spain for financial support and to Dr. Ibon Alkorta for carry

A high-precision carbon-13 shift thermometer for the temperature range 100-300 K

scientific article published in October 1998

A solid-state NMR, X-ray diffraction, and ab initio computational study of hydrogen-bond structure and dynamics of pyrazole-4-carboxylic acid chains.

scientific article published in August 2001

Acid-base interactions and secondary structures of poly-L-lysine probed by 15N and 13C solid state NMR and Ab initio model calculations

scientific article

Acid-induced amino side-chain interactions and secondary structure of solid poly-L-lysine probed by 15N and 13C solid state NMR and ab initio model calculations

scientific article

Agostic interaction and intramolecular proton transfer from the protonation of dihydrogen ortho metalated ruthenium complexes.

scholarly article

Arrhenius curves of hydrogen transfers: tunnel effects, isotope effects and effects of pre-equilibria.

scientific article

Bridging the Gap between Homogeneous and Heterogeneous Catalysis: Ortho/Para H2Conversion, Hydrogen Isotope Scrambling, and Hydrogenation of Olefins by Ir(CO)Cl(PPh3)2

scientific article published on 01 July 2004

Carboxylic acid-doped SBA-15 silica as a host for metallo-supramolecular coordination polymers

scientific article published on 8 October 2008

Combined NMR and UV/vis spectroscopy in the solution state: study of the geometries of strong OHO hydrogen bonds of phenols with carboxylic acids

scientific article published in January 2009

Coupling of Functional Hydrogen Bonds in Pyridoxal-5‘-phosphate−Enzyme Model Systems Observed by Solid-State NMR Spectroscopy

scientific article published on 20 March 2007

Critical hydrogen bonds and protonation states of pyridoxal 5′-phosphate revealed by NMR ⬇️

scientific article published on June 16, 2011

Determination of the free activation energy for the breaking of the 31P107(109)Ag bond in [(η6-p-cymene)Ru(μ-pz)3Ag(PPh3)]

Direct NMR Evidence for the Presence of Mobile Surface Hydrides on Ruthenium Nanoparticles

article

Dynamic NMR study of the mechanisms of double, triple, and quadruple proton and deuteron transfer in cyclic hydrogen bonded solids of pyrazole derivatives.

scientific article published in September 2004

Effects of hydration on the acid-base interactions and secondary structures of poly-L-lysine probed by 15N and 13C solid state NMR.

scientific article

Efficient design of multituned transmission line NMR probes: The electrical engineering approach

article

Encapsulated Carboxylic Acid Dimers with Compressed Hydrogen Bonds

scientific article published on 01 January 2011

Evidence for tautomerism in nucleic acid base pairs. 1H NMR study of 15N labeled tRNA.

scientific article

Evidence of microphase separation in controlled pore glasses.

scientific article

Fluxionality and Isomerism of the Bis(dihydrogen) Complex RuH2(H2)2(PCy3)2: INS, NMR, and Theoretical Studies

scientific article published on 01 July 1998

From molecular complexes to complex metallic nanostructures--2H solid-state NMR studies of ruthenium-containing hydrogenation catalysts.

scientific article published on 9 May 2013

Gas phase 1H NMR studies and kinetic modeling of dihydrogen isotope equilibration catalyzed by Ru-nanoparticles under normal conditions: dissociative vs. associative exchange

scientific article published on 5 January 2018

Geometric H/D isotope effects and cooperativity of the hydrogen bonds in porphycene

scientific article published in February 2007

Geometrical features of hydrogen bonded complexes involving sterically hindered pyridines.

scientific article published in September 2006

H/D isotope effects on NMR chemical shifts of nuclei involved in a hydrogen bridge of hydrogen isocyanide complexes with fluoride anion.

scientific article published on 3 April 2009

High-resolution 2H MAS NMR applied to deuterium analogs of hydrido eta2-dihydrogen complexes

scientific article published on 20 August 2009

How short is the strongest hydrogen bond in the proton-bound homodimers of pyridine derivatives?

scientific article published on 3 November 2014

Hydrido-Ruthenium Cluster Complexes as Models for Reactive Surface Hydrogen Species of Ruthenium Nanoparticles. Solid-State2H NMR and Quantum Chemical Calculations

article

Hydrogen bond geometries and proton tautomerism of homoconjugated anions of carboxylic acids studied via H/D isotope effects on 13C NMR chemical shifts

scientific article published on 19 July 2012

Hydrogen bonds and proton transfer in general-catalytic transition-state stabilization in enzyme catalysis.

scientific article

Imidazole-Doped Cellulose as Membrane for Fuel Cells: Structural and Dynamic Insights from Solid-State NMR

Iminophosphorane-substituted proton sponges. Part 5. Structures in the solid state. Correlation between solid state31P MAS NMR spectra and crystal structures

Intermolecular proton transfer in host–guest crystals: the case of pyrazole included in 1,1-di(2,4-dimethylphenyl)but-2-yn-1-ol, an X-ray and solid-state13C/15N NMR study

Intrinsic proton-donating power of zinc-bound water in a carbonic anhydrase active site model estimated by NMR.

scientific article

Isotope and phase effects on the proton tautomerism in polycrystalline porphycene revealed by NMR.

scientific article published in March 2009

Low-temperature NMR studies of Zn tautomerism and hindered rotations in solid zincocene derivatives

scientific article published on 27 March 2008

Mechanism of nuclear spin initiated para-H2 to ortho-H2 conversion

scientific article published on 14 March 2006

Molecular structure and dynamics of C-1-adamantyl substituted N-unsubstituted pyrazoles studied by solid state NMR spectroscopy and X-ray crystallography

NMR Studies of the Stability, Protonation States, and Tautomerism of 13C- and 15N-Labeled Aldimines of the Coenzyme Pyridoxal 5′-Phosphate in Water ⬇️

scientific article published on December 6, 2010

NMR Study of Solvation Effect on the Geometry of Proton-Bound Homodimers of Increasing Size

scientific article published on 24 October 2017

NMR localization of protons in critical enzyme hydrogen bonds

scientific article published on 12 July 2007

NMR parameters and geometries of OHN and ODN hydrogen bonds of pyridine-acid complexes.

scientific article

NMR provides checklist of generic properties for atomic-scale models of periodic mesoporous silicas

scientific article published on 4 October 2007

NMR studies of active-site properties of human carbonic anhydrase II by using (15) N-labeled 4-methylimidazole as a local probe and histidine hydrogen-bond correlations.

scientific article

NMR studies of coupled low- and high-barrier hydrogen bonds in pyridoxal-5'-phosphate model systems in polar solution

scientific article published on 25 April 2007

NMR studies of double proton transfer in hydrogen bonded cyclic N,N'-diarylformamidine dimers: conformational control, kinetic HH/HD/DD isotope effects and tunneling

scientific article published on 25 June 2007

NMR studies of protonation and hydrogen bond states of internal aldimines of pyridoxal 5'-phosphate acid-base in alanine racemase, aspartate aminotransferase, and poly-L-lysine.

scientific article

NMR studies of solid pentachlorophenol-4-methylpyridine complexes exhibiting strong OHN hydrogen bonds: geometric H/D isotope effects and hydrogen bond coupling cause isotopic polymorphism

scientific article published on 23 August 2012

NMR studies of solvent-assisted proton transfer in a biologically relevant Schiff base: toward a distinction of geometric and equilibrium H-bond isotope effects.

scientific article

NMR studies of the tautomerism of cyclo-tris(4-R-2,6-pyridylformamidine) in solution and in the solid state

scientific article published in October 2002

NMR studies of ultrafast intramolecular proton tautomerism in crystalline and amorphous n,n'-diphenyl-6-aminofulvene-1-aldimine: solid-state, kinetic isotope, and tunneling effects

scientific article published in July 2008

NMR study of conformational exchange and double-well proton potential in intramolecular hydrogen bonds in monoanions of succinic acid and derivatives

scientific article published on 17 August 2011

Novel Insights into the Mechanism of the Ortho/Para Spin Conversion of Hydrogen Pairs: Implications for Catalysis and Interstellar Water

scientific article published on 01 March 2006

Nuclear magnetic resonance and ab initio studies of small complexes formed between water and pyridine derivatives in solid and liquid phases.

scientific article

Photoinduced proton transfer in a pyridine based polymer gel.

scientific article published on August 2010

Polar solvent fluctuations drive proton transfer in hydrogen bonded complexes of carboxylic acid with pyridines: NMR, IR and ab initio MD study

scientific article

Proton transfer in a short hydrogen bond caused by solvation shell fluctuations: an ab initio MD and NMR/UV study of an (OHO)− bonded system

scientific article published on 01 February 2015

Reaction pathways of proton transfer in hydrogen-bonded phenol-carboxylate complexes explored by combined UV-vis and NMR spectroscopy.

scientific article published on 2 May 2011

Reactions of olefins with ruthenium hydride nanoparticles: NMR characterization, hydride titration, and room-temperature C--C bond activation

scientific article published in January 2008

Scalar coupling constants across the intramolecular NHN hydrogen bond of symmetrically and non-symmetrically substituted 6-aminofulvene-1-aldimines

Solid State and Gas Phase NMR Studies of Immobilized Catalysts and Catalytic Active Nanoparticles

Solid-state NMR studies of aminocarboxylic salt bridges in L-lysine modified cellulose.

scientific article

Spin polarization transfer mechanisms of SABRE: A magnetic field dependent study

scientific article published on 31 October 2015

Structural analysis of zincocenes with substituted cyclopentadienyl rings.

scientific article

Structural and dynamical properties of guest molecules confined in mesoporous silica materials revealed by NMR.

scientific article published on 09 July 2007

Symmetrization of cationic hydrogen bridges of protonated sponges induced by solvent and counteranion interactions as revealed by NMR spectroscopy.

scientific article published in February 2010

Synthesis of 15 N-labelled 3,5-dimethylpyridine

scientific article published on 14 November 2019

The application of novel Ir-NHC polarization transfer complexes by SABRE

scientific article published on 01 December 2019

The hydrogen-bonded 2-pyridone dimer model system. 1. Combined NMR and FT-IR spectroscopy study.

scientific article published in July 2010

The tautomerism of 3(5)-phenylpyrazoles: an experimental (1H, 13C, 15N NMR and X-ray crystallography) study

Theoretical study of the structure and tautomerism of N 1-unsubstituted pyrazoles in the solid state

UV-Spektren und Elektronenstrukturen von Monoamino-Acridinium-Kationen

scientific article published on 01 January 1970

Water and small organic molecules as probes for geometric confinement in well-ordered mesoporous carbon materials.

scientific article

Water molecules in hydroxy/acid networks as a competition between dynamics and bonding. Synthesis of a wet hydrophobic pore

article

X-ray crystallographic structures of enamine and amine Schiff bases of pyridoxal and its 1:1 hydrogen-bonded complexes with benzoic acid derivatives: evidence for coupled inter- and intramolecular proton transfer

scientific article published on 15 May 2006

List of works by Hans-Heinrich Limbach

13C detected scalar nitrogen-nitrogen couplings across the intramolecular symmetric NHN hydrogen bond of proton sponge

15N nuclear magnetic resonance studies of acid-base properties of pyridoxal-5'-phosphate aldimines in aqueous solution.

1H/2H NMR Studies of Geometric H/D Isotope Effects on the Coupled Hydrogen Bonds in Porphycene Derivatives

2H NMR calculations on polynuclear transition metal complexes: on the influence of local symmetry and other factors

2H solid-state NMR of ruthenium complexes

2H-solid-state-NMR study of hydrogen adsorbed on catalytically active ruthenium coated mesoporous silica materials

6-Aminofulvene-1-aldimine: A Model Molecule for the Study of Intramolecular Hydrogen Bonds

6-Aminofulvene-1-aldimine: A Model Molecule for the Study of Intramolecular Hydrogen Bonds We are indebted to DGES/MEC (PB96-0001-C03) and Comunidad de Madrid (grant no. 07N/0001/1999) of Spain for financial support and to Dr. Ibon Alkorta for carry

A high-precision carbon-13 shift thermometer for the temperature range 100-300 K

A solid-state NMR, X-ray diffraction, and ab initio computational study of hydrogen-bond structure and dynamics of pyrazole-4-carboxylic acid chains.

Acid-base interactions and secondary structures of poly-L-lysine probed by 15N and 13C solid state NMR and Ab initio model calculations

Acid-induced amino side-chain interactions and secondary structure of solid poly-L-lysine probed by 15N and 13C solid state NMR and ab initio model calculations

Agostic interaction and intramolecular proton transfer from the protonation of dihydrogen ortho metalated ruthenium complexes.

Arrhenius curves of hydrogen transfers: tunnel effects, isotope effects and effects of pre-equilibria.

Bridging the Gap between Homogeneous and Heterogeneous Catalysis: Ortho/Para H2Conversion, Hydrogen Isotope Scrambling, and Hydrogenation of Olefins by Ir(CO)Cl(PPh3)2

Carboxylic acid-doped SBA-15 silica as a host for metallo-supramolecular coordination polymers

Combined NMR and UV/vis spectroscopy in the solution state: study of the geometries of strong OHO hydrogen bonds of phenols with carboxylic acids

Coupling of Functional Hydrogen Bonds in Pyridoxal-5‘-phosphate−Enzyme Model Systems Observed by Solid-State NMR Spectroscopy

Critical hydrogen bonds and protonation states of pyridoxal 5′-phosphate revealed by NMR ⬇️

Determination of the free activation energy for the breaking of the 31P107(109)Ag bond in [(η6-p-cymene)Ru(μ-pz)3Ag(PPh3)]

Direct NMR Evidence for the Presence of Mobile Surface Hydrides on Ruthenium Nanoparticles

Dynamic NMR study of the mechanisms of double, triple, and quadruple proton and deuteron transfer in cyclic hydrogen bonded solids of pyrazole derivatives.

Effects of hydration on the acid-base interactions and secondary structures of poly-L-lysine probed by 15N and 13C solid state NMR.

Efficient design of multituned transmission line NMR probes: The electrical engineering approach

Encapsulated Carboxylic Acid Dimers with Compressed Hydrogen Bonds

Evidence for tautomerism in nucleic acid base pairs. 1H NMR study of 15N labeled tRNA.

Evidence of microphase separation in controlled pore glasses.

Fluxionality and Isomerism of the Bis(dihydrogen) Complex RuH2(H2)2(PCy3)2: INS, NMR, and Theoretical Studies

From molecular complexes to complex metallic nanostructures--2H solid-state NMR studies of ruthenium-containing hydrogenation catalysts.

Gas phase 1H NMR studies and kinetic modeling of dihydrogen isotope equilibration catalyzed by Ru-nanoparticles under normal conditions: dissociative vs. associative exchange

Geometric H/D isotope effects and cooperativity of the hydrogen bonds in porphycene

Geometrical features of hydrogen bonded complexes involving sterically hindered pyridines.

H/D isotope effects on NMR chemical shifts of nuclei involved in a hydrogen bridge of hydrogen isocyanide complexes with fluoride anion.

High-resolution 2H MAS NMR applied to deuterium analogs of hydrido eta2-dihydrogen complexes

How short is the strongest hydrogen bond in the proton-bound homodimers of pyridine derivatives?

Hydrido-Ruthenium Cluster Complexes as Models for Reactive Surface Hydrogen Species of Ruthenium Nanoparticles. Solid-State2H NMR and Quantum Chemical Calculations

Hydrogen bond geometries and proton tautomerism of homoconjugated anions of carboxylic acids studied via H/D isotope effects on 13C NMR chemical shifts

Hydrogen bonds and proton transfer in general-catalytic transition-state stabilization in enzyme catalysis.

Imidazole-Doped Cellulose as Membrane for Fuel Cells: Structural and Dynamic Insights from Solid-State NMR

Iminophosphorane-substituted proton sponges. Part 5. Structures in the solid state. Correlation between solid state31P MAS NMR spectra and crystal structures

Intermolecular proton transfer in host–guest crystals: the case of pyrazole included in 1,1-di(2,4-dimethylphenyl)but-2-yn-1-ol, an X-ray and solid-state13C/15N NMR study

Intrinsic proton-donating power of zinc-bound water in a carbonic anhydrase active site model estimated by NMR.

Isotope and phase effects on the proton tautomerism in polycrystalline porphycene revealed by NMR.

Low-temperature NMR studies of Zn tautomerism and hindered rotations in solid zincocene derivatives

Mechanism of nuclear spin initiated para-H2 to ortho-H2 conversion

Molecular structure and dynamics of C-1-adamantyl substituted N-unsubstituted pyrazoles studied by solid state NMR spectroscopy and X-ray crystallography

NMR Studies of the Stability, Protonation States, and Tautomerism of 13C- and 15N-Labeled Aldimines of the Coenzyme Pyridoxal 5′-Phosphate in Water ⬇️

NMR Study of Solvation Effect on the Geometry of Proton-Bound Homodimers of Increasing Size

NMR localization of protons in critical enzyme hydrogen bonds

NMR parameters and geometries of OHN and ODN hydrogen bonds of pyridine-acid complexes.

NMR provides checklist of generic properties for atomic-scale models of periodic mesoporous silicas

NMR studies of active-site properties of human carbonic anhydrase II by using (15) N-labeled 4-methylimidazole as a local probe and histidine hydrogen-bond correlations.

NMR studies of coupled low- and high-barrier hydrogen bonds in pyridoxal-5'-phosphate model systems in polar solution

NMR studies of double proton transfer in hydrogen bonded cyclic N,N'-diarylformamidine dimers: conformational control, kinetic HH/HD/DD isotope effects and tunneling

NMR studies of protonation and hydrogen bond states of internal aldimines of pyridoxal 5'-phosphate acid-base in alanine racemase, aspartate aminotransferase, and poly-L-lysine.

NMR studies of solid pentachlorophenol-4-methylpyridine complexes exhibiting strong OHN hydrogen bonds: geometric H/D isotope effects and hydrogen bond coupling cause isotopic polymorphism

NMR studies of solvent-assisted proton transfer in a biologically relevant Schiff base: toward a distinction of geometric and equilibrium H-bond isotope effects.

NMR studies of the tautomerism of cyclo-tris(4-R-2,6-pyridylformamidine) in solution and in the solid state

NMR studies of ultrafast intramolecular proton tautomerism in crystalline and amorphous n,n'-diphenyl-6-aminofulvene-1-aldimine: solid-state, kinetic isotope, and tunneling effects

NMR study of conformational exchange and double-well proton potential in intramolecular hydrogen bonds in monoanions of succinic acid and derivatives

Novel Insights into the Mechanism of the Ortho/Para Spin Conversion of Hydrogen Pairs: Implications for Catalysis and Interstellar Water

Nuclear magnetic resonance and ab initio studies of small complexes formed between water and pyridine derivatives in solid and liquid phases.

Photoinduced proton transfer in a pyridine based polymer gel.

Polar solvent fluctuations drive proton transfer in hydrogen bonded complexes of carboxylic acid with pyridines: NMR, IR and ab initio MD study

Proton transfer in a short hydrogen bond caused by solvation shell fluctuations: an ab initio MD and NMR/UV study of an (OHO)− bonded system

Reaction pathways of proton transfer in hydrogen-bonded phenol-carboxylate complexes explored by combined UV-vis and NMR spectroscopy.

Reactions of olefins with ruthenium hydride nanoparticles: NMR characterization, hydride titration, and room-temperature C--C bond activation

Scalar coupling constants across the intramolecular NHN hydrogen bond of symmetrically and non-symmetrically substituted 6-aminofulvene-1-aldimines

Solid State and Gas Phase NMR Studies of Immobilized Catalysts and Catalytic Active Nanoparticles

Solid-state NMR studies of aminocarboxylic salt bridges in L-lysine modified cellulose.

Spin polarization transfer mechanisms of SABRE: A magnetic field dependent study

Structural analysis of zincocenes with substituted cyclopentadienyl rings.

Structural and dynamical properties of guest molecules confined in mesoporous silica materials revealed by NMR.

Symmetrization of cationic hydrogen bridges of protonated sponges induced by solvent and counteranion interactions as revealed by NMR spectroscopy.

Synthesis of 15 N-labelled 3,5-dimethylpyridine

The application of novel Ir-NHC polarization transfer complexes by SABRE

The hydrogen-bonded 2-pyridone dimer model system. 1. Combined NMR and FT-IR spectroscopy study.

The tautomerism of 3(5)-phenylpyrazoles: an experimental (1H, 13C, 15N NMR and X-ray crystallography) study

Theoretical study of the structure and tautomerism of N 1-unsubstituted pyrazoles in the solid state