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Journal articles on the topic 'Nuclear quadrupole moment'

Author: Grafiati

Published: 4 June 2021

Last updated: 7 February 2022

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1

Barone, Giampaolo, Remigius Mastalerz, Markus Reiher, and Roland Lindh. "Nuclear Quadrupole Moment of119Sn." Journal of Physical Chemistry A 112, no. 7 (February 2008): 1666–72. http://dx.doi.org/10.1021/jp710388t.

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2

Bieroń, Jacek, Ian P. Grant, and Charlotte Froese Fischer. "Nuclear quadrupole moment of scandium." Physical Review A 56, no. 1 (July 1, 1997): 316–21. http://dx.doi.org/10.1103/physreva.56.316.

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3

Cederberg, J., D. Olson, J. Larson, G. Rakness, K. Jarausch, J. Schmidt, B. Borovsky, P. Larson, and B. Nelson. "Nuclear electric quadrupole moment of6Li." Physical Review A 57, no. 4 (April 1, 1998): 2539–43. http://dx.doi.org/10.1103/physreva.57.2539.

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4

Brix, Peter. "Fifty Years of Nuclear Quadrupole Moments." Zeitschrift für Naturforschung A 41, no. 1-2 (February 1, 1986): 2–14. http://dx.doi.org/10.1515/zna-1986-1-203.

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On March 2, 1935 Hermann Schiller and Theodor Schmidt reported the first experimental evidence of non-spherical nuclei. From careful hyperfine structure studies of several Eu I-lines, they had shown that the hyperfine components of 151Eu and 153Eu did not follow the Lande interval rule exactly. Since the deviations were larger for 153Eu with the smaller magnetic moment, level perturbations were ruled out. This led to the conclusion of nuclear quadrupole moments. The theory was published June 1, 1935 by Hendrik B. G. Casimir. Nuclear deformations are playing a decisive role in modern nuclear structure physics. For solid state physics, spectroscopic quadrupole moments are very useful, since they probe the electric field gradient at the nuclei.This review presents the discovery of 1935 in historical context: 1. Early measurements of nuclear radii. 2. Discovery of nuclear quadrupole moments. 3. Spectroscopic quadrupole moments (absolute measurements; relative hyperfine data, europium revisited). 4. Intrinsic quadrupole moments (discovery from isotope shifts; present status, samarium revisited). 5. Charge distribution of deformed nuclei.

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5

Kellö, Vladimir, Andrzej J. Sadlej, and Pekka Pyykkö. "The nuclear quadrupole moment of 45Sc." Chemical Physics Letters 329, no. 1-2 (October 2000): 112–18. http://dx.doi.org/10.1016/s0009-2614(00)00946-5.

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6

Belpassi, Leonardo, Francesco Tarantelli, Antonio Sgamellotti, Harry M. Quiney, Joost N. P. van Stralen, and Lucas Visscher. "Nuclear electric quadrupole moment of gold." Journal of Chemical Physics 126, no. 6 (February 14, 2007): 064314. http://dx.doi.org/10.1063/1.2436881.

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7

Stopkowicz, Stella, Lan Cheng, Michael E. Harding, Cristina Puzzarini, and Jürgen Gauss. "The bromine nuclear quadrupole moment revisited." Molecular Physics 111, no. 9-11 (May 30, 2013): 1382–89. http://dx.doi.org/10.1080/00268976.2013.796072.

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8

Santiago, Régis Tadeu, Tiago Quevedo Teodoro, and Roberto Luiz Andrade Haiduke. "The nuclear electric quadrupole moment of copper." Phys. Chem. Chem. Phys. 16, no. 23 (2014): 11590–96. http://dx.doi.org/10.1039/c4cp00706a.

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A new nuclear electric quadrupole moment was determined for the⁶³Cu nucleus by means of a linear regression analysis of experimental nuclear electric quadrupole constants against electric field gradients obtained from relativistic calculations at several levels, which suggests a revision of the currently accepted standard value for this property.

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9

Yakobi, Hana, Ephraim Eliav, and Uzi Kaldor. "The nuclear quadrupole moment of 69Ga and 115In." Canadian Journal of Chemistry 87, no. 7 (July 2009): 802–5. http://dx.doi.org/10.1139/v09-017.

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Electric field gradients at the nuclei of gallim and indium are determined by finite field calculations of the atomic energies as functions of the nuclear quadrupole moments. The four-component Dirac–Coulomb–Gaunt Hamiltonian serves as framework, and all electrons are correlated by Fock-space coupled cluster with single and double excitations or by single reference coupled cluster with approximate triples. Large, converged basis sets (e.g., 28s24p20d13f5g4h for In) and virtual spaces are used. Together with experimental nuclear quadrupole coupling constants, known with high precision, the calculated electric field gradients yield the nuclear quadrupole moments. For 69Ga, we get Q = 174(3) mb, in agreement with the earlier 171(2) mb obtained from molecular calculations. The 115In moment is Q = 772(5) mb, considerably lower than the previously accepted 810 mb, and in good agreement with the recent molecular value of 770(8) mb.

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10

Ohya, S., S. Suzuki, K. Nishimura, and N. Mutsuro. "The nuclear magnetic moments of184,185Ir and the quadrupole moment of185Ir." Journal of Physics G: Nuclear Physics 14, no. 3 (March 1988): 365–71. http://dx.doi.org/10.1088/0305-4616/14/3/012.

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11

Dufek, Philipp, Peter Blaha, and Karlheinz Schwarz. "Determination of the Nuclear Quadrupole Moment of57Fe." Physical Review Letters 75, no. 19 (November 6, 1995): 3545–48. http://dx.doi.org/10.1103/physrevlett.75.3545.

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12

Minamisono, K., P. F. Mantica, H. L. Crawford, J. S. Pinter, J. B. Stoker, Y. Utsuno, and R. R. Weerasiri. "Quadrupole moment of 37K." Physics Letters B 662, no. 5 (May 2008): 389–95. http://dx.doi.org/10.1016/j.physletb.2008.03.049.

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13

Minamisono, T., S. Fukuda, T. Ohtsubo, M. Tanigaki, A. Kitagawa, M. Fukuda, K. Matsuta, Y. Nojiri, and S. Takeda. "Quadrupole moment of41Sc by use of new nuclear quadrupole resonance detection." Hyperfine Interactions 78, no. 1-4 (1993): 191–94. http://dx.doi.org/10.1007/bf00568138.

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14

Nagel, Oscar A., Máximo E. Ramia, and Nestor R. Veglio. "Second-moment nuclear quadrupole resonance measurement of in." Journal of Physics: Condensed Matter 9, no. 49 (December 8, 1997): 10941–50. http://dx.doi.org/10.1088/0953-8984/9/49/013.

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15

Dmitriev, V. F., V. B. Telitsin, V. V. Flambaum, and V. A. Dzuba. "Core contribution to the nuclear magnetic quadrupole moment." Physical Review C 54, no. 6 (December 1, 1996): 3305–7. http://dx.doi.org/10.1103/physrevc.54.3305.

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16

Grayce, Christopher J., Robert A. Harris, and Erwin L. Hahn. "The nuclear-quadrupole-induced dipole moment of HD." Chemical Physics Letters 147, no. 5 (June 1988): 443–51. http://dx.doi.org/10.1016/0009-2614(88)85006-1.

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17

Levins, J. M. G., J. Billowes, P. Campbell, and M. R. Pearson. "The quadrupole moment of Al." Journal of Physics G: Nuclear and Particle Physics 23, no. 9 (September 1, 1997): 1145–49. http://dx.doi.org/10.1088/0954-3899/23/9/015.

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18

Aerts, Antoine, and Alex Brown. "A revised nuclear quadrupole moment for aluminum: Theoretical nuclear quadrupole coupling constants of aluminum compounds." Journal of Chemical Physics 150, no. 22 (June 14, 2019): 224302. http://dx.doi.org/10.1063/1.5097151.

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19

Blinc, R. "NQR in Dipolar and Quadrupolar Glasses." Zeitschrift für Naturforschung A 45, no. 3-4 (April 1, 1990): 313–22. http://dx.doi.org/10.1515/zna-1990-3-417.

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Abstract It is shown that nuclear quadrupole resonance and quadrupole perturbed magnetic resonance represent a powerful technique to determine the local polarization distribution and its second moment, the Edwards-Anderson order parameter, in proton and deuteron glasses. For quadrupolar glasses the local orientational distribution function can be determined from the inhomogeneous NMR or NQR lineshape, thus allowing for a measurement of the quadrupolar Edwards-Anderson order parameter. The comparison of the temperature dependences of the thus obtained order parameters with theoretical predictions then allows for a discrimination between the different possible models of the glassy transition.

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20

Nagae, D., H. Ueno, D. Kameda, M. Takemura, K. Asahi, K. Takase, A. Yoshimi, et al. "Electric quadrupole moment of 31Al." Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 266, no. 19-20 (October 2008): 4612–15. http://dx.doi.org/10.1016/j.nimb.2008.05.111.

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21

GUPTA, RAJ K., SHAM S. MALIK, J. S. BATRA, PETER O. HESS, and WERNER SCHEID. "PHENOMENOLOGY OF NUCLEI AT VERY HIGH ANGULAR MOMENTA USING PARAMETRIZED TWO-CENTER NUCLEAR SHAPES." International Journal of Modern Physics E 04, no. 04 (December 1995): 789–800. http://dx.doi.org/10.1142/s0218301395000262.

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The nuclear shapes and variation of moment of inertia with angular momentum, as well as the limiting angular momentum carried by a nucleus at its fissioning stage, are derived from the observed data of the ground-state yrast band and quadrupole deformations of these states. The necking-in of the nuclear shapes are shown to start already at J*~14+−18+. The empirical variation of moment of inertia with angular momentum is found to include the back-bending and forward-bending effects and supports the nuclear softness model of the nucleus. The fission of nuclei is shown to occur at very high angular momenta, which is different for different nuclei. The role of deformation energy is analyzed and the possibility of predicting the quadrupole deformations, or B(E2) transitions, for very high spin states is discussed. The calculations are presented for 156Dy, 158Er, and 164Hf.

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22

Fu, Li-juan, and Juha Vaara. "Nuclear quadrupole moment-induced Cotton-Mouton effect in molecules." Journal of Chemical Physics 140, no. 2 (January 14, 2014): 024103. http://dx.doi.org/10.1063/1.4855315.

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23

van Stralen, Joost N. P., and Lucas Visscher. "The nuclear quadrupole moment of 115In from molecular data." Journal of Chemical Physics 117, no. 7 (August 15, 2002): 3103–8. http://dx.doi.org/10.1063/1.1492799.

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24

Nickhah, Laleh, Ali Akbar Rajabi, and Majid Hamzavi. "Nuclear quadrupole moment and effects of nucleus–nucleus scattering potential." Modern Physics Letters A 34, no. 07n08 (March 12, 2019): 1950053. http://dx.doi.org/10.1142/s0217732319500536.

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This paper presents the results of the nuclear electrical quadrupole moment of the 17O and 2H before and after their scattering interaction near the Coulomb barrier. The distribution of nuclei’s charge (the quadrupole moment of nuclei) was examined for 2H and 17O when interacting together. The interaction potential between the nuclei was achieved using the double-folding model. Also, the wave functions of the interacting nuclei were replaced with the density functions. The wave functions of the interacting nuclei were obtained through the D-dimensional Schrödinger equation with the pseudo-Coulomb potential plus ring-shaped potential and Yukawa potential by the Nikiforov–Uvarov solution method.

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25

Pernpointner, Markus, Peter Schwerdtfeger, and Bernd A. Hess. "The nuclear quadrupole moment of 133Cs: Accurate relativistic coupled cluster calculations for CsF within the point-charge model for nuclear quadrupole moments." Journal of Chemical Physics 108, no. 16 (April 22, 1998): 6739–47. http://dx.doi.org/10.1063/1.476089.

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26

Arnold, E., J. Bonn, W. Neu, R. Neugart, and E. W. Orten. "Quadrupole interaction of8Li and9Li in LiNbO3 and the quadrupole moment of9Li." Zeitschrift f�r Physik A Atomic Nuclei 331, no. 3 (September 1988): 295–98. http://dx.doi.org/10.1007/bf01355599.

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27

Mao, Xi-an, and Manfred Holz. "14N Quadrupole Relaxation of DMF and DMF-d7 in DMSO at Infinite Dilution." Zeitschrift für Naturforschung A 49, no. 11 (November 1, 1994): 1016–18. http://dx.doi.org/10.1515/zna-1994-1103.

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Abstract The 14N quadrupole relaxation time in pure DMF is by 9% longer than in pure DMF-d7, showing the dependence of the reorientational molecular motion on the square root of the moment of inertia. But for traces of DMF and DMF-d7 in DMSO, the 14N quadrupole relaxation time tends to obey the "square-root-of-the-reduced-mass law", as expected from the kinetic theory of dense fluids. The vanishing of the moment-of-inertia effect on the intramolecular nuclear quadrupole relaxation is discussed in terms of molecular translation-rotation coupling.

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28

Gurnitskaya, E. P., and O. Yu Khetselius. "SENSING THE HYPERFINE STRUCTURE AND NUCLEAR QUADRUPOLE MOMENT FOR RADIUM." Sensor Electronics and Microsystem Technologies 3, no. 2 (December 6, 2014): 25–29. http://dx.doi.org/10.18524/1815-7459.2006.2.117607.

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29

KELLÖ, VLADIMIR, and ANDRZEJ J. SADLEJ. "The nuclear quadrupole moment of 73Ge from molecular microwave data." Molecular Physics 96, no. 2 (January 20, 1999): 275–81. http://dx.doi.org/10.1080/00268979909482960.

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30

KELLO, VLADIMIR. "The nuclear quadrupole moment of data 73Ge from molecular microwave." Molecular Physics 96, no. 2 (January 20, 1999): 275–81. http://dx.doi.org/10.1080/002689799165909.

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31

Gusmão, Eriosvaldo F., Régis T. Santiago, and Roberto L. A. Haiduke. "Accurate nuclear quadrupole moment of ruthenium from the molecular method." Journal of Chemical Physics 151, no. 19 (November 21, 2019): 194306. http://dx.doi.org/10.1063/1.5128655.

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32

Yakobi, Hana, Ephraim Eliav, and Uzi Kaldor. "Nuclear quadrupole moment of Au197 from high-accuracy atomic calculations." Journal of Chemical Physics 126, no. 18 (May 14, 2007): 184305. http://dx.doi.org/10.1063/1.2735298.

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33

He, Y., M. J. Godfrey, I. Jenkins, A. J. Kirwan, P. J. Nolan, S. M. Mullins, R. Wadsworth, and D. J. G. Love. "Quadrupole moment of the superdeformed band in131Ce." Journal of Physics G: Nuclear and Particle Physics 16, no. 4 (April 1, 1990): 657–60. http://dx.doi.org/10.1088/0954-3899/16/4/016.

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34

Finck, C., O. Stézowski, F. A. Beck, D. E. Appelbe, T. Byrski, S. Courtin, D. M. Cullen, et al. "Quadrupole moment of superdeformed bands in 151Tb." European Physical Journal A 2, no. 2 (June 1998): 123–27. http://dx.doi.org/10.1007/s100500050100.

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35

Doma, S. B. "Ground and excited state characteristics of the nuclei with A = 6." Nuclear Physics and Atomic Energy 22, no. 1 (March 25, 2021): 19–29. http://dx.doi.org/10.15407/jnpae2021.01.019.

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The binding energy, the root-mean-square radius, the magnetic dipole moment, the electric quadrupole moment, and the moment of inertia of the nucleus 6Li are calculated by applying different models. The translation invariant shell model is applied to calculate the binding energy, the root-mean-square radius, and the magnetic dipole moment by using two- and three-body interactions. Also, the spectra of the nuclei with A = 6 are calculated by using the translation-invariant shell model. Moreover, the ft-value of the allowed transition: 6He(Jπ=0+;T=1)β- → 6Li(Jπ=1+;T'=1) is also calculated. Furthermore, the concept of the single-particle Schrodinger fluid for axially symmetric deformed nuclei is applied to calculate the moment of inertia of 6Li. Also, we calculated the magnetic dipole moment and the electric quadrupole moment of the nucleus 6Li in this case of axially symmetric shape. Moreover, the nuclear superfluidity model is applied to calculate the moment of inertia of 6Li, based on a single-particle deformed anisotropic oscillator potential added to it a spin-orbit term and a term proportional to the square of the orbital angular momentum, as usual in this case. The single-particle wave functions obtained in this case are used to calculate the magnetic dipole moment and the electric quadrupole moment of 6Li.

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36

Kellö, Vladimir, and Andrzej J. Sadlej. "Nuclear quadrupole moments from molecular microwave data: The quadrupole moment of85Rband87Rbnuclei and survey of molecular data for alkali-metal nuclei." Physical Review A 60, no. 5 (November 1, 1999): 3575–85. http://dx.doi.org/10.1103/physreva.60.3575.

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37

Huang, Xue Yi, Geng Guang Xu, and Feng Long Hao. "The Detection of Concealed Targets Based on NQR of Nitrogen-14." Applied Mechanics and Materials 596 (July 2014): 505–10. http://dx.doi.org/10.4028/www.scientific.net/amm.596.505.

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Nuclear quadrupole resonance (NQR) is an advanced radio frequency (RF) spectroscopic technique, widely used to analyse substances containing quadrupole nuclei, such as2H,14N,17O,35Cl and39K. In this paper, we focus on the NQR detection of nitrogenous compounds including nucleus Nitrogen-14 or14N. We will briefly introduce its fundamental principles, namely, nuclear quadrupole moment and NQR detection mechanism, and then provide some experimental results based on these theories, such as sodium nitrite, methenamine, urea and thiourea. At last, according to these results, we will make some discussion about the properties of NQR detection.

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38

RODRÍGUEZ-GUZMÁN, R. R., J. L. EGIDO, and L. M. ROBLEDO. "DESCRIPTION OF THE SUPERDEFORMED BAND OF 36Ar WITH THE GOGNY FORCE." International Journal of Modern Physics E 13, no. 01 (February 2004): 139–46. http://dx.doi.org/10.1142/s0218301304001862.

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The superdeformed band of 36 Ar is studied with the Gogny force D1S and the angular momentum projected generator coordinate method for the quadrupole moment. The band head excitation energy, moments of inertia, B(E2) transition probabilities and stability against quadrupole fluctuations at low spin are studied. The Self Consistent Cranking method is also used to describe the superdeformed rotational band. In addition, properties of some normal deformed states are discussed.

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39

Haiduke, Roberto L. A., Albérico B. F. da Silva, and Lucas Visscher. "The nuclear electric quadrupole moment of lutetium from the molecular method." Chemical Physics Letters 445, no. 4-6 (September 2007): 95–98. http://dx.doi.org/10.1016/j.cplett.2007.07.061.

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40

Voss, A., M. R. Pearson, J. Billowes, F. Buchinger, K. H. Chow, J. E. Crawford, M. D. Hossein, et al. "Nuclear electric quadrupole moment of9Li using zero-field β-detected NQR." Journal of Physics G: Nuclear and Particle Physics 38, no. 7 (June 1, 2011): 075102. http://dx.doi.org/10.1088/0954-3899/38/7/075102.

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41

Haiduke, Roberto L. A., Albérico B. F. da Silva, and Lucas Visscher. "The nuclear electric quadrupole moment of antimony from the molecular method." Journal of Chemical Physics 125, no. 6 (August 14, 2006): 064301. http://dx.doi.org/10.1063/1.2234369.

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42

Fewell, M. P., G. J. Gyapong, R. H. Spear, M. T. Esat, A. M. Baxter, and S. M. Burnett. "The quadrupole moment of 196Pt - A crucial test of nuclear models." Physics Letters B 157, no. 5-6 (July 1985): 353–56. http://dx.doi.org/10.1016/0370-2693(85)90379-x.

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43

Haiduke, Roberto L. A. "The nuclear electric quadrupole moment of hafnium from the molecular method." Chemical Physics Letters 544 (August 2012): 13–16. http://dx.doi.org/10.1016/j.cplett.2012.07.002.

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44

Kameda, D., H. Ueno, K. Asahi, M. Takemura, A. Yoshimi, T. Haseyama, M. Uchida, et al. "Measurement of the electric quadrupole moment of 32Al." Physics Letters B 647, no. 2-3 (April 2007): 93–97. http://dx.doi.org/10.1016/j.physletb.2007.01.063.

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45

Arnold, E., J. Bonn, A. Klein, P. Lievens, R. Neugart, M. Neuroth, E. W. Otten, H. Reich, and W. Widdra. "The quadrupole moment of the neutron-halo nucleus11Li." Zeitschrift f�r Physik A: Hadrons and Nuclei 349, no. 3-4 (September 1994): 337–38. http://dx.doi.org/10.1007/bf01288986.

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46

Hagelberg, F., and T. P. Das. "Evaluation of the 57mFe Quadrupole Moment from Hartree-Fock Calculations." Zeitschrift für Naturforschung A 53, no. 6-7 (July 1, 1998): 358–61. http://dx.doi.org/10.1515/zna-1998-6-716.

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Abstract Two theoretical evaluations of 57mFe quadrupole moment (Q), based on different formalisms, namely the Hartree-Fock theory and the Linearized Augmented Plane Wave method have yielded results differing by a factor of two. In both cases, Q was obtained from experimental quadrupole interaction frequencies through investigation of the Electric Field Gradients at the nuclear site of the 57mFe probe. It is the purpose of the present work to reexamine the earlier Hartree-Fock approach. In particular, the earlier model is extended through a more realistic description of the environment of 57mFe in the respective experiments, as well as through inclusion of electron correlation effects.

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47

Spiekermann, J., and D. H. Sutter. "Molecular g-Values, Magnetic Susceptibility, Anisotropics, Second Moments of the Electronic Charge Distribution. Molecular Electric Quadrupole Moment, and 14N Nuclear Quadrupole Coupling of Nitroethylene, CH2 = CH - N02." Zeitschrift für Naturforschung A 46, no. 8 (August 1, 1991): 715–28. http://dx.doi.org/10.1515/zna-1991-0812.

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AbstractThe high-field linear and quadratic Zeeman effect has been observed in nitroethylene. The spectrum is complicated by the presence of 14N nuclear quadrupole coupling which was reanalyzed from low-J zero-field transitions observed under high resolution. Our 14N quadrupole coupling constants are Xaa = -0.8887(18) MHz, Xbb = +0.0429(29) MHz, Xcc = +0.8458(29) MHz (c-axis perpendicular to the molecular plane). Our g-values and magnetic susceptibility anisotropics, fitted to the observed high-field Zeeman multiplets, are gaa = -0.15 985(39), -0.07197(31), gcc= -0.01080(32), 2ξaa-ξbb-ξcc= + 19.07(43) * 10-6 erg * G-2 * mole-1 and 2ξbb- ξcc- ξaa = + 29.67(53) -10-6 erg * G-2 * mole-1 . From them, the anisotropics in the second moments of the electronic charge distribution and the components of the molecular electric quadrupole moment with respect to the principal inertia axes system follow as <a2> -<b2> = +36.55(7)Å2 , <b2> - <c2>= +23.58(9) Å2, <c2>-<a2> = -60.14(8) Å2, Qaa= -0.59(29) D * Å, Qbb = +0.07(36) D * Å, and Qcc = +0.52(46) D * Å. The 14N quadrupole coupling constants, the anisotropics in the second electronic moments and the quadrupole moments are compared to the corresponding Hartree-Fock SCF values calculated with the Gaussian 88 program. The discrepancy between the experimental values and the ab initio values is considerably larger than found earlier in a similar investigation of a group of imines

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48

Kasten, W., H. Dreizler, and U. Andresen. "Nitrogen Quadrupole Coupling in the Microwave Ground State Spectra of Tertiary Butyl Isocyanide and Phenyl Isocyanide." Zeitschrift für Naturforschung A 41, no. 11 (November 1, 1986): 1302–6. http://dx.doi.org/10.1515/zna-1986-1106.

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The microwave ground state spectra of tert.-butyl isocyanide, (CH3)3CNC, and phenyl isocyanide, C6H5NC, have been measured by microwave Fourier transform spectroscopy in the region 5.0 to 8.0 GHz and analysed for nuclear quadrupole hyperfine splitting due to 14N. The nuclear quadrupole coupling constants are shown to be in accordance with structural predictions of the p-electron population at the nitrogen atom. The dipole moment of phenyl isocyanide was derived from the Stark effect of the JK-K+ = 202 - 101 transition.

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49

Verkhovskii, S. V., B. Z. Malkin, A. Trokiner, A. Yakubovskii, E. Haller, A. Ananyev, A. Gerashenko, et al. "Quadrupole Effects on 73Ge NMR Spectra in Isotopically Controlled Ge Single Crystals." Zeitschrift für Naturforschung A 55, no. 1-2 (February 1, 2000): 105–10. http://dx.doi.org/10.1515/zna-2000-1-218.

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NMR spectra of 73Ge (nuclear spin I = 9/2) in perfect single crystals of germanium with different isotopic content were measured at 80, 300, and 450 K. The observed specific line shapes gave evidence of the isotopic disorder, in particular, abnormal broadening of the spectrum was found for the magnetic field directed along the [111] axis. Local lattice deformations in the germanium crystal lattice due to "isotopic disorder" were calculated in the framework of the adiabatic bond charge model. The results were applied to study random non-cubic crystal field interactions with the nuclear quadrupole moments and corresponding effects on NMR spectra. The simulated second moment of the resonance frequency distributions caused by the magnetic dipole-dipole and electric quadrupole interactions are used to analyze the lineshapes, theoretical predictions being in a qualitative agreement with the experimental data.

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Kellö, Vladimir, and Andrzej J. Sadlej. "The Nuclear Quadrupole Moment of 14N from Accurate Electric Field Gradient Calculations and Microwave Spectra of NP Molecule." Collection of Czechoslovak Chemical Communications 72, no. 1 (2007): 64–82. http://dx.doi.org/10.1135/cccc20070064.

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Abstract:

Extensive series of relativistic coupled cluster calculations of the electric field gradient at N in NP has been carried out. The accurate value of the calculated electric field gradient, combined with the highly accurate experimental value of the nuclear quadrupole coupling constant for the 14N nucleus, gives the 'molecular' value of the nuclear quadrupole moment Q(14N) = 20.46 mb. This result perfectly agrees with the value (20.44 ± 0.03 mb) determined from atomic calculations and atomic spectra. The present study involves also extensive investigations of basis sets which must be used in highly accurate calculations of electric field gradients.

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