Rotor synchronized three-dimensional 13C magic angle spinning nuclear magnetic resonance: Correlation between molecular structure, order, and dynamics in solids

Abstract

Articles you may be interested inQuantification of global orientational order in organic solids by magic-angle spinning deuterium NMR with rotor synchronization Theory of dynamic magic angle spinning nuclear magnetic resonance and its application to carbon13 in solid bullvalene J. Chem. Phys. 99, 7544 (1993); 10.1063/1.465684Deuterium twodimensional exchange nuclear magnetic resonance by rotorsynchronized magic angle spinning J. Chem. Phys. 98, 7699 (1993); 10.1063/1.464578 Structure and order in partially oriented solids by threedimensional magic angle spinning nuclear magnetic resonance spectroscopy

Structure and dynamics of solid polymers from 2D- and 3D-NMR

“…The spectrum on the right (Figure 15), on the other hand, recorded at 360 K and a mixing time as long as tm = 1.5s, displays a large number of positive and negative off-diagonal sidebands, indicating molecular motion on this time scale. As shown in detail in ref 72 these sideband patterns can quantitatively be analyzed in terms of the helical jump motion of the POM 95 helix. The off-diagonal exchange induced sidebands have high intensities, due to the strong correlation between order and motion, since the helix axis is the order axis, as well as the axis around which the molecular motion occurs.…”

“…71 Better resolution and a significant gain in information content concerning both order and dynamics, can be achieved, however, by extending the experiment to a third frequency dimension. 72 To this end the 2D experiments described above for monitoring molecular dynamics and for detecting molecular order have been combined to produce a rotorsynchronized 3D experiment which correlates these two phenomena. Besides achieving this correlation, the CORD (correlation of order and dynamic) 3D experi-ment72 also is important for providing information about the geometry of dynamic processes.…”

Molecular dynamics in solid polymers

“…The MAS exchange experiment also permits the correlation of molecular dynamics and orientation in anisotropic materials [110,111].…”

Distance Measurements between13C Nuclei in Singly Labeledp-Xylene/Dianin's Inclusion Compound by 2D-RFDR

“…We assumed the initial signal intensities of the carbons in the I-S spin pair to be equal. The time-dependent S-spin signal of a single crystallite, with a CSA tensor orientation defined by the Euler angle (␣, ␤, ␥) in the rotor frame, after the RFDR sequence can be expressed as (27) S͑͒ f *͑␥͒ f ͑ R t ϩ ␥͒, [1] where f ( R t) ϭ ¥ n d n e in R t is the signal for ␥ ϭ 0 due to the CSA interaction only, and S() is a function that oscillates between 0 and 1 with an RFDR frequency, that is, a function of all dipolar, CSA, and pulse parameters (28). A zero isotropic chemical shift value is assumed.…”