Beryllium-9 quadrupole coupling constants and rotational correlation times of bis(acetylacetonato)beryllium(II) in acetonitrile at different temperatures

1998 ◽  
Vol 94 (21) ◽  
pp. 3237-3240 ◽  
Author(s):  
Mitsuhiro Kanakubo ◽  
Haruko Ikeuchi ◽  
Gen P. Satô
Keyword(s):  
Coupling Constants ◽  
Correlation Times ◽  
Quadrupole Coupling ◽  
Rotational Correlation Times ◽  
Different Temperatures ◽  
Rotational Correlation

The influence of like-charge attraction on the structure and dynamics of ionic liquids: NMR chemical shifts, quadrupole coupling constants, rotational correlation times and failure of Stokes–Einstein–Debye

2018 ◽  
Vol 20 (8) ◽  
pp. 5617-5625 ◽  
Author(s):  
Anne Strate ◽  
Viviane Overbeck ◽  
Viktoria Lehde ◽  
Jan Neumann ◽  
Anne-Marie Bonsa ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Chemical Shifts ◽  
Coupling Constants ◽  
Correlation Times ◽  
Nmr Chemical Shifts ◽  
Structure And Dynamics ◽  
Quadrupole Coupling ◽  
Rotational Correlation Times ◽  
Rotational Correlation

The formation of clusters of like-charge influences the structure and dynamics of ionic liquids.

Molecular Dynamics in the System Methanol-Dimethylsulphoxide

1994 ◽  
Vol 49 (12) ◽  
pp. 1131-1135
Author(s):  
R. Ludwig ◽  
M. D. Zeidler ◽  
T. C. Farrar
Keyword(s):  
Coupling Parameter ◽  
Coupling Constants ◽  
Methanol Molecule ◽  
Proton Relaxation ◽  
Relaxation Rates ◽  
Correlation Times ◽  
Quadrupole Coupling ◽  
Rotational Correlation Times ◽  
Nmr Proton Relaxation ◽  
Rotational Correlation

Abstract NMR proton relaxation rates of normal and oxygen-17 enriched m ethanol-d3 in a mixture of 71 mol% methanol and 29 mol% dimethylsulphoxide-d6 (DMSO) were measured as a function of temperature between 298 and 158 K. From these data rotational correlation times of the methanol molecule in the mixture and the oxygen-proton dipolar spin-lattice coupling parameter were ob­tained. The latter parameter is considerably smaller than the one obtained from neutron diffraction studies of the molecular geometry of methanol. Additionally, deuteron and oxygen-17 relaxation rates were measured over the same temperature range. Using the rotational correlation times obtained from the oxygen-17 induced proton relaxation rates, the quadrupole coupling constant for deuterium was derived; it shows a temperature dependence. Application of the Poplett relation yielded the oxygen-17 quadrupole coupling constants, so that oxygen correlation times could be obtained. Comparison of deuteron and oxygen correlation times indicates that the reorientation of the methanol molecule in the methanol/DMSO mixture is anisotropic.

Simultaneous determination of deuteron quadrupole coupling constants and rotational correlation times: the model case of hydrogen bonded ionic liquids

2019 ◽  
Vol 21 (46) ◽  
pp. 25597-25605
Author(s):  
A. E. Khudozhitkov ◽  
V. Overbeck ◽  
P. Stange ◽  
A. Strate ◽  
D. Zaitsau ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Ionic Liquids ◽  
Relaxation Time ◽  
Coupling Constants ◽  
Model Case ◽  
Correlation Times ◽  
Anisotropic Motion ◽  
Quadrupole Coupling ◽  
Rotational Correlation Times

We show that deuteron quadrupole coupling constants, and reorientational correlation times of molecular bonds N–D that are involved in hydrogen bonding, can be determined from NMR T1 relaxation time experiments simultaneously by assuming anisotropic motion.

Effective rotational correlation times of proteins from NMR relaxation interference

2006 ◽  
Vol 178 (1) ◽  
pp. 72-76 ◽  
Author(s):  
Donghan Lee ◽  
Christian Hilty ◽  
Gerhard Wider ◽  
Kurt Wüthrich
Keyword(s):  
Nmr Relaxation ◽  
Correlation Times ◽  
Rotational Correlation Times ◽  
Rotational Correlation
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