Verification of the −1:2 quadrupole coupling constant ratio in cis- and trans-octahedral diorganoantimony(V)complexes

1975 ◽  
Vol 11 (4) ◽  
pp. 229-231 ◽  
Author(s):  
John N.R. Ruddick ◽  
John R. Sams
Keyword(s):  
Quadrupole Coupling Constant ◽  
Coupling Constant ◽  
Constant Ratio ◽  
Quadrupole Coupling ◽  
Cis And Trans ◽  
In Cis

Improved Rotational Constants and Dipole Moment and a Nuclear Quadrupole Coupling Analysis of 2-Cyanothiophene and Dipole Moment of 2-Cyanofurane

1977 ◽  
Vol 32 (2) ◽  
pp. 152-155 ◽  
Author(s):  
J. Wiese ◽  
L. Engelbrecht ◽  
H. Dreizler
Keyword(s):  
Dipole Moment ◽  
Stark Effect ◽  
Dipole Moments ◽  
Quadrupole Coupling Constant ◽  
Rotational Constant ◽  
Coupling Constant ◽  
Frequency Range ◽  
Effect Analysis ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

Results of a microwave investigation of the molecules 2-Cyanothiophene and 2-Cyanofurane are reported. The microwave spectrum of 2-Cyanothiophene was examined in the frequency range of 13 -40 GHz mainly to get a more accurate rotational constant A from the assignment of μb-btransitions. From the resolved hyperfine structure due to nuclear quadrupole coupling of the 14N-nucleus the quadrupole coupling constant X+=Xbb + Xcc was determined for 2-Cyanothiophene. No information for X- was available from the measured transitions.From Stark effect studies the dipole moments were determined for both molecules. The nuclear quadrupole coupling as a perturbation of the second order Stark effect was included in the Stark effect analysis

scholarly journals Two-Dimensional Nutation NQR Broad-Line Spectra in Oriented Samples

2006 ◽  
Vol 61 (9) ◽  
pp. 499-504 ◽  
Author(s):  
Nicolay Sinyavsky ◽  
Irina Korneva ◽  
Michał Ostafin ◽  
Bolesław Nogaj ◽  
Mariusz Maćkowiak
Keyword(s):  
Asymmetry Parameter ◽  
Disordered Systems ◽  
Quadrupole Coupling Constant ◽  
Two Dimensional ◽  
Coupling Constant ◽  
Nuclear Spins ◽  
Radio Frequency Field ◽  
Quadrupole Coupling ◽  
Oriented Samples ◽  
Constant E

The NQR nutation method to determine the electric field gradient asymmetry parameter η in systems, where the resonance line is so broad that the radio frequency field can excite only a portion of the nuclear spins, is presented. In this situation, the recently developed spectroscopic methods are not applicable. Two-dimensional nutation NQR spectra of oriented powders are calculated and used to determine η at particular frequencies along a broad NQR line. The proposed method is useful for single crystals, oriented powders, glasses, and disordered systems even for small values of the asymmetry parameter. Therefore it can be used to evaluate fluctuations in η and the quadrupole coupling constant e2qQ due to inhomogeneities. We demonstrate the application of this method to oriented chalcogenide semiconducting glasses.

Dissecting the Effects of Water Guest Adsorption and Framework Breathing on the AlO4(OH)2 Centers of Metal-Organic Framework MIL-53 (Al) by Solid State NMR and Structural Analysis

2021 ◽  
Author(s):  
Alexander G. Stepanov ◽  
Alexander E. Khudozhitkov ◽  
Sergei S. Arzumanov ◽  
Alexander V. Toktarev ◽  
Svetlana Cherepanova ◽  
...  
Keyword(s):  
Solid State Nmr ◽  
Metal Organic Framework ◽  
Structural Phase ◽  
Quadrupole Coupling Constant ◽  
Coupling Constant ◽  
Aluminium Atom ◽  
Quadrupole Coupling ◽  
Adsorption Of Water ◽  
Metal Organic ◽  
The Relationship

The relationship between the adsorption of water on MIL-53 (Al) MOF, the structural phase of MIL-53 (Al), and quadrupole coupling constant of 27Al framework aluminium atom (QCC) of the MOF...

The Microwave Spectrum of Silylisothiocyanate, SiH3NCS

1977 ◽  
Vol 32 (5) ◽  
pp. 473-481 ◽  
Author(s):  
K.-F. Dössel ◽  
D. H. Sutter
Keyword(s):  
Dipole Moment ◽  
Stark Effect ◽  
Heavy Atom ◽  
Quadrupole Coupling Constant ◽  
Rotational Transition ◽  
Coupling Constant ◽  
Bending Vibration ◽  
Isotopic Species ◽  
Quadrupole Coupling ◽  
Atom Chain

Abstract The microwave spectra of 15N-and 13C-substituted SiH3NCS were recorded in the frequency region between 8 and 40 GHz. Combining the resulting rotational constants with values obtained previously for other isotopic species, the complete restructure of the heavy atom chain could be determined. This leads to the following rs-bond distances: rC-S = l-5745 Å, rN-C = 1.2208 Å, and rSi-N = 1.6725 Å. From Stark effect splittings the electric dipole moment of the most abun­dant species was determined for the ground vibrational state and for the first excited state of the lowest frequency bending vibration ν10 . The values are <ν10=0 | μz | ν10=0> = 2.38 + 0.02 D and <ν10=1, l=1| μz | ν10=1, l=1>=2.36 ±0.02D. The direction of the dipole moment is discussed. From the quadrupole hyperfinestructure of the J = 2→J′=3 rotational transition the 14N-quadrupole coupling constant could be determined as Xzz=0.75 MHz. The experimental results are compared to CNDO/2 calculations.

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