Temperature and Pressure Dependence of 209Bi Nuclear Quadrupole Resonance in BiCl3

1972 ◽  
Vol 50 (16) ◽  
pp. 2586-2590 ◽  
Author(s):  
G. C. Gillies ◽  
R. J. C. Brown
Keyword(s):  
Pressure Dependence ◽  
Room Temperature ◽  
Quadrupole Coupling Constant ◽  
Coupling Constant ◽  
Nuclear Quadrupole Coupling Constant ◽  
Quadrupole Coupling ◽  
Quadrupole Resonance ◽  
Temperature And Pressure ◽  
Nuclear Quadrupole ◽  
Crystal Volume

The temperature and pressure dependence of the 209Bi nuclear quadrupole coupling constant and asymmetry parameter in solid BiCl3 have been measured near room temperature. It is not possible to account for the results on the basis of the conventional theory in which the field gradient parameters depend only on the crystal volume.

Polarographic and nuclear quadrupole resonance studies of some organic iodo compounds. II. The dependence of the half-step potential on the ionic character of the carbon-iodine bond

1968 ◽  
Vol 21 (6) ◽  
pp. 1403 ◽  
Author(s):  
RA Caldwell ◽  
S Hacobian
Keyword(s):  
Continuous Medium ◽  
Quadrupole Coupling Constant ◽  
Ionic Character ◽  
Coupling Constant ◽  
Step Potential ◽  
Nuclear Quadrupole Coupling Constant ◽  
Quadrupole Coupling ◽  
Quadrupole Resonance ◽  
Nuclear Quadrupole ◽  
Semi Empirical

Nuclear quadrupole coupling constant data are utilized to determine the ionic character of the carbon-iodine bond in a number of substituted iodobenzenes and related to the half-step potential of the corresponding substituted iodobenzene. A semi-empirical discussion using the Kirkwood-Westheimer relation for the interaction of poles in a continuous medium is given as the basis for such a relationship.

TEMPERATURE DEPENDENCE OF THE PURE NUCLEAR QUADRUPOLE RESONANCE FREQUENCY IN KClO3

1960 ◽  
Vol 38 (11) ◽  
pp. 1397-1405 ◽  
Author(s):  
J. Vanier
Keyword(s):  
Temperature Dependence ◽  
Room Temperature ◽  
Quadrupole Coupling Constant ◽  
Nuclear Quadrupole Resonance Frequency ◽  
Lattice Vibrations ◽  
Coupling Constant ◽  
Air Temperatures ◽  
Quadrupole Coupling ◽  
Quadrupole Resonance ◽  
Nuclear Quadrupole

The resonant frequency of the Cl35 nuclear quadrupole in KClO3 has been measured as a function of temperature in the range 15 deg;K to 77 deg;K; previous work between 77 deg;K and room temperature has been confirmed. Comparison has been made with Bayer's theory based on lattice vibrations and agreement is excellent. The ratio of the quadrupole coupling constant eQqzz of the two isotopes (Cl35 and CI37) has been measured at room and liquid air temperatures; significant changes have been observed in the measurements. Finally the possibility of using this temperature dependence as the basis of a sensitive thermometer has been studied; the accuracy of such a thermometer would be ±0.005 deg;K at 60 deg;K and ±0.05 deg;K at 20 deg;K.

79,81Br−127I−NQR, and Crystal Structure of Glycyl-l-alanine Hydrobromide Monohydrate and Hydroiodide Monohydrate

1989 ◽  
Vol 44 (7) ◽  
pp. 659-668 ◽  
Author(s):  
Armin Kehrer ◽  
Shi-qi Dou ◽  
Alarich Weiss
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Room Temperature ◽  
Quadrupole Coupling Constant ◽  
Coupling Constant ◽  
Lattice Constants ◽  
Nuclear Quadrupole Coupling Constant ◽  
Quadrupole Coupling ◽  
Constant E ◽  
Nuclear Quadrupole

Abstract The crystal structures of glycyl-l-alanine hydrobromide monohydrate, 1, and glycyl-l-alanine hydroiodide monohydrate, 2, were determined and the temperature dependence of the 127I NQR frequencies was investigated in the temperature range 77 <̳T/K <̳ 370. The 127I NQR frequencies are strongly influenced by hydrogen bonds and this is proved by the frequency shift of the H ⇄ D exchange. By deuteration the nuclear quadrupole coupling constant e2 qQh−1(127I) of 2 is shifted downwards 2.72 MHz at room temperature. The title compounds are isotype, and at room temperature they crystallize monoclinic with the space group C22 − P21 with two molecules in the unit cell. The lattice constants for 1 are a = 1068.7 pm, b = 614.1 pm, c = 762.0 pm, and β= 108.55° and for 2 are a = 1093.3 pm, 6 = 637.1 pm, c = 770.9 pm, and β= 107.29°.

Nuclear Quadrupole Resonance Studies in MICA

1986 ◽  
Vol 41 (1-2) ◽  
pp. 341-342 ◽  
Author(s):  
S. Sengupta ◽  
S. Rhadakrishna ◽  
R. A. Marino
Keyword(s):  
Room Temperature ◽  
Double Resonance ◽  
Quadrupole Coupling Constant ◽  
Coupling Constant ◽  
Level Crossing ◽  
Quadrupole Coupling ◽  
Quadrupole Resonance ◽  
Constant E ◽  
Muscovite Mica ◽  
Nuclear Quadrupole

Aluminum-27 NQR transitions were detected in Muscovite Mica at room temperature using double resonance by level crossing (DRLC) techniques. Three lines were observed with frequencies of 572.5, 1052.0, and 1624.5 kHz. These lines are assigned to the octahedrally coordinated site, AlO4(OH)2. The corresponding quadrupole coupling constant, e2q Q/h, and asymmetry parameter, η, are 3554.8 kHz and 0.265, respectively. The remaining tetrahedrally coordinated sites, AlO4, gave no discernible signal, perhaps due to the greater 27Al- 1H distance.

AB INITIO CALCULATIONS OF 14N NQR PARAMETERS AND 13C, 1H, AND 15N CHEMICAL SHIFTS INCLUDING A COMPARISON WITH EXPERIMENTAL NMR DATA FOR CYCLOTRISAZOBENZENE

2009 ◽  
Vol 08 (04) ◽  
pp. 647-656 ◽  
Author(s):  
NASSER ZAMAND ◽  
ALI R. ALIAKBAR ◽  
NASSER L. HADIPOUR
Keyword(s):  
Structural Changes ◽  
Chemical Shifts ◽  
Quadrupole Coupling Constant ◽  
Coupling Constant ◽  
Electron Pairs ◽  
Nuclear Quadrupole Coupling Constant ◽  
Quadrupole Coupling ◽  
Quadrupole Resonance ◽  
Nuclear Quadrupole ◽  
Experimental Values

Nuclear quadrupole coupling constant, χ, and asymmetry parameter, η, of 14 N nucleus and 13 C , 1 H , and 15 N chemical shifts for cyclotrisazobenzene at the level of B3LYP and MP2 methods have been studied using the Gaussian 98 suite of programs. Also, nuclear quadrupole resonance (NQR) frequencies (ν0, ν+, ν-) for 14 N have been calculated, thoroughly. The optimized structure of the compound was very similar to that given by the X-ray crystallographic data. The electric field gradient (EFG) calculation verified that the N = N bonds are highly localized in this molecule; therefore, electron-pairs of the nitrogen atoms remain nonbonding. The comparison of the calculated chemical shifts with the experimental values for cyclotrisazobenzene shows no significant structural changes in solution.

Weak Complexes of Dinitrogen: An Approach to the 14N-Nuclear Quadrupole Coupling Constant of Free N2

1992 ◽  
Vol 47 (1-2) ◽  
pp. 367-370 ◽  
Author(s):  
A. C. Legon ◽  
P. W. Fowler
Keyword(s):  
Ground States ◽  
Zero Point ◽  
Quadrupole Coupling Constant ◽  
Coupling Constants ◽  
Coupling Constant ◽  
Nuclear Quadrupole Coupling Constant ◽  
Quadrupole Coupling ◽  
Weak Complexes ◽  
Nuclear Quadrupole

AbstractThe 14N-nuclear quadrupole coupling constants χaa(14N<2>) and χaa(14N(1)) for the ground-states of the dimers 14N(2)14N(1) • • • HCCH and 14N(2)14N(1) • • • HC15N have been corrected for zero-point effects and for the electrical effects of the subunit HX to give two estimatesχ(14N) = -5.01 (13) and - 5.07 (8) MHz, respectively, for the coupling constant of the isolated 14N2 molecule

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