Structure and nanostructure

High-resolution solid-state NMR based on MAS and multi pulse techniques is applied. Chemical structure is determined form the chemical shift, proximity and internuclear distances from through-space dipolar coupling, additional information from the quadrupolar coupling constant. Structures are refined by comparison with quantum chemical calculations using CASTEP.

Examples

Refinement and local structure in Gibbsite from high-resolution 27Al and 1H NMR and CASTEP calculations
[A. Vyalikh, K. Zesewitz, U. Scheler Hydrogen bonds and local symmetry in the crystal structure of gibbsite Magnetic Resonance in Chemistry, 48, (2010), 877-881]

MAS spectrum of radiation-modified PTFE. The spectrum shows that the polymer contains more branching points than terminal groups, it is crosslinked.
[B. Fuchs, U. Scheler Branching and Cross-Linking in Radiation-Modified Poly(tetrafluoroethylene):A Solid-State NMR Investigation Macromolecules 33, (2000), 120-124]

Related publications

Vyalikh, A. ; Zesewitz, K. ; Scheler, U.
Hydrogen bonds and local symmetry in the crystal structure of gibbsite
Magnetic Resonance in Chemistry 48 (2010) 877-881
Vyalikh, A. ; Massiot, D. ; Scheler, U.
Structural characterisation of aluminium layered double hydroxides by 27Al solid-state NMR
Solid State Nuclear Magnetic Resonance 36 (2009) 19-23
Scheler, U.
Solid Polymers
in: Solid-State NMR Spectroscopy: Principles and Applications, M. Duer, ed.,Blackwell Publishing (2002) 483-511
Fuchs, B. ; Scheler, U.
Branching and Cross-Linking in Radiation-Modified Poly(tetrafluoroethylene): A Solid-State NMR Investigation
Macromolecules 33 (2000) 120-124