Temperature Dependence of the Deuteron and Oxygen Quadrupole Coupling Constants of Water in the System Water/Dimethyl Sulfoxide

1994 ◽  
Vol 98 (27) ◽  
pp. 6684-6687 ◽  
Author(s):  
R. Ludwig ◽  
T. C. Farrar ◽  
M. D. Zeidler
Keyword(s):  
Temperature Dependence ◽  
Dimethyl Sulfoxide ◽  
Coupling Constants ◽  
Quadrupole Coupling ◽  
System Water

19F Nuclear Quadrupole Coupling in some Halomethanes

1986 ◽  
Vol 41 (1-2) ◽  
pp. 171-174 ◽  
Author(s):  
M. Frank ◽  
F. Gubitz ◽  
W. Ittner ◽  
W. Kreische ◽  
A. Labahn ◽  
...  
Keyword(s):  
Angular Distribution ◽  
Simple Model ◽  
Temperature Dependence ◽  
Coupling Constants ◽  
Temperature Dependent ◽  
Distribution Method ◽  
Quadrupole Coupling ◽  
Time Differential ◽  
Nuclear Quadrupole

The 19F quadrupole coupling constants in CF4, CHF3, CClF3 and CHClF2 are reported. The measurements were carried out temperature dependent using the time differential perturbed angular distribution method (TDPAD). The temperature dependence can be satisfactorily described in the framework of the Bayer-Kushida theory. A simple model is used to explain the appearance of H-F and Cl-F coupling constants in CHF3/CHClF2 and CClF3, respectively.

Temperature Dependence of 2H Quadrupole Coupling Constants in 2H2O and Ionic Motions in Crystalline [M(2H2O)6] [SnCl6] (M: Mg, Ca), Studied by 2H NMR and Neutron Powder Diffraction

1998 ◽  
Vol 53 (6-7) ◽  
pp. 473-479 ◽  
Author(s):  
Naohiro Yoshida ◽  
Noriko Onoda-Yamamuro ◽  
Shin'ichi Ishimaru ◽  
Keizo Horiuchi ◽  
Ryuichi Ikeda
Keyword(s):  
Temperature Dependence ◽  
Powder Diffraction ◽  
Room Temperature ◽  
Neutron Powder Diffraction ◽  
Coupling Constants ◽  
H Nmr ◽  
Octahedral Cation ◽  
Quadrupole Coupling ◽  
Large Asymmetry ◽  
Motional Narrowing

Abstract The temperature dependence of 2H NMR spectra was measured at 130-430 K on [M(D2O)6] [SnCl6] (M : Mg, Ca) (rhombohedral, space group: R3̅), and neutron powder diffraction on the Mg salt was performed at room temperature. Based on the accurate orientation of D2O molecules in an octahedral cation, spectra with a large asymmetry parameter η, observed around 200 K, were explained by a model of 180° flip of water molecules. Another motional narrowing observed above room temperature was assigned to a cationic overall reorientation about the C3-axis.

Spektroskopische Untersuchungen in der Festkörperchemie, XIII. Temperaturabhängigkeit der 127I-Kernquadrupolkopplung in NH4IO4 und anderen Periodaten / Spectroscopic Investigations in the Solid State Chemistry, XIII. Temperature Dependence of the 127I-Nuclear Quadrupole Coupling in NH4IO4 and other Periodates

1980 ◽  
Vol 35 (11) ◽  
pp. 1349-1354 ◽  
Author(s):  
Paul K. Burkert
Keyword(s):  
Temperature Dependence ◽  
Coupling Constants ◽  
Solid State Chemistry ◽  
Positive Temperature ◽  
Electric Field Gradients ◽  
Field Gradients ◽  
Quadrupole Coupling ◽  
Temperature Dependences ◽  
Nuclear Quadrupole ◽  
Nmr Signals

The temperature dependence of the electric field gradients was measured by I. and II. order quadrupole effects of the 127I NMR signals in scheelite-structured NH4IO4 and RbIO4, in pseudo-scheelite CsIO4 and in N(CH3)4IO4, where rcation > ranion- An interpretation of the anomalous positive temperature dependences of the quadrupole coupling constants in NH4IO4 and in the isostructural NH4ReO4 is proposed.

Temperature dependence of the14N quadrupole coupling constants in pyrazine

1974 ◽  
Vol 60 (11) ◽  
pp. 4295-4299 ◽  
Author(s):  
A. Péneau ◽  
M. Gourdji ◽  
L. Guibé
Keyword(s):  
Temperature Dependence ◽  
Coupling Constants ◽  
Quadrupole Coupling

The chemical interpretation and the temperature dependence of the 14N nuclear quadrupole resonance of aniline and several derivatives

1968 ◽  
Vol 46 (22) ◽  
pp. 3595-3604 ◽  
Author(s):  
C. T. Yim ◽  
M. A. Whitehead ◽  
Donald H. Lo
Keyword(s):  
Temperature Dependence ◽  
Nuclear Quadrupole Resonance ◽  
Coupling Constants ◽  
Temperature Range ◽  
Resonance Frequencies ◽  
Quadrupole Coupling ◽  
Quadrupole Resonance ◽  
Nuclear Quadrupole ◽  
Asymmetry Parameters ◽  
Phenylene Diamine

The 14N nuclear quadrupole resonance frequencies of aniline, o- and p-phenylene diamine, and p-chloro-, p-bromo-, and p-iodo-aniline were measured with a super-regenerative oscillator over a temperature range from 77 to 292 °K. The temperature dependence is analyzed. The chemical interpretation of the quadrupole coupling constants and asymmetry parameters is described.

Temperature Dependence of the 127I-Nuclear Quadrupole Coupling in Tetramethylammonium-periodate(CH3)4NIO4

1984 ◽  
Vol 39 (12) ◽  
pp. 1222-1224 ◽  
Author(s):  
Dagmar G. Klobasa ◽  
Paul K. Burkert
Keyword(s):  
Temperature Dependence ◽  
Negative Temperature ◽  
Second Order ◽  
Coupling Constants ◽  
Anomalous Temperature Dependence ◽  
Anomalous Temperature ◽  
Temperature Coefficients ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole ◽  
Second Order Phase Transition

Tetramethylammonium-periodate shows 127I-NMR second order quadrupole splitting with negative temperature coefficients α for the quadrupole coupling constants and a second order phase transition. From these measurements one can exclude the ratio (rcation/ranion) > 1 to be the origin of the anomalous temperature dependence in NH4IO4.

Temperature dependence of the 59Co quadrupole coupling constant in K3Co(CN)6

1980 ◽  
Vol 58 (1) ◽  
pp. 68-73 ◽  
Author(s):  
J. A. J. Lourens ◽  
E. Smit
Keyword(s):  
Temperature Dependence ◽  
Structural Phase ◽  
Intermediate Frequency ◽  
Quadrupole Coupling Constant ◽  
Coupling Constants ◽  
Positive Contribution ◽  
Coupling Constant ◽  
Quadrupole Coupling ◽  
Bond Stretching ◽  
Modes Of Vibration

Expressions are presented for calculating the effects of bond-stretching and rotational modes of vibration on the temperature dependence of quadrupole coupling constants in crystals. Contributions to the motional averaging of the electric field gradient tensor arising from point charges, point dipoles, and overlap of closed wave functions are evaluated and the resulting expressions applied to analyse the temperature variation of the 59Co quadrupole coupling constant in K3Co(CN)6. Both stretching and rotational internal modes of vibration of the Co(CN)6 octahedron had to be taken into account to analyse the data. In particular, an intermediate frequency mode of wavenumber 414 cm−1 has been found to make a substantial and positive contribution to the shift in coupling constant arising from the low (~ 100 cm−1) and intermediate frequency (~ 400 cm−1) modes. The remainder of the shift (~ 90%) has been attributed to a rotary mode of wavenumber 26 cm−1. The extracted temperature dependence of this mode points to the possible existence of a structural phase transition in K3Co(CN)6 below 100 K.

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