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101	Author	Christovam Mendonça, SaidR. Rabbani	Requires cookie*
	Title	Anharmonic Lattice Vibrations and the Temperature Shift of Raman Spectral Lines
	Abstract	The temperature dependence of the average lattice mode frequency of a molecule undergoing librational motion in a quasi-harmonic potential has been calculated with the purpose of finding an explicit relationship between the observed shift of Raman spectral lines with temperature and the anharmonic term in the rotational potential. Calculations were carried out both for uncoupled and coupled oscillators. The equations obtained with this model provide good fittings for solid Cl 2 and benzene data. This result can be applied to the analysis of the temperature dependence of NQR frequencies in molecular crystals.
	Reference	Z. Naturforsch. 51a, 716—720 (1996); received November 20 1995
	Published	1996
	Keywords	Vibrational Spectroscopy, Raman Spectra, Anharmonic Vibrations, NQR
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	Identifier	ZNA-1996-51a-0716
	Volume	51

102	Author	Motohiro Mizuno, Masahiko Suhara, Tetsuo Asaji, Yoshihiro Furukawa	Requires cookie*
	Title	NQR and NMR Studies of Phase Transitions in R 2 Pb[Cu(N0 2 ) 6 l (R = K, Rb, Tl, Cs, and NH 4 )
	Abstract	39 K, 87 85 Rb, 133 Cs, 205 T1, and 12 H NMR spin-lattice relaxation times T x and 14 N NQR spin-lattice relaxation times T X Q were determined for R 2 Pb [Cu(N0 2) 6 ] (R = K, Rb, Tl, Cs, and NH 4). 7j of 39 K and 87 Rb showed very short values in the incommensurate phase as compared with those in the other phases. When the commensurate-incommensurate phase transition point is approached from below, 14 N T 1Q of the R = K, Rb, Tl, and NH 4 compounds showed rapid decrease. On the other hand, that of the R = Cs compound began to decrease first after passing beyond the corre-sponding transition point. The difference of the T lQ behavior may be ascribed to the difference of the condensed phonon mode in the incommensurate phase.
	Reference	Z. Naturforsch. 51a, 721—725 (1996); received October 10 1995
	Published	1996
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	Identifier	ZNA-1996-51a-0721
	Volume	51

103	Author	T. Myojin, T. Ohno, K. Mizuno, A. Tsujimura, K. Kojima	Requires cookie*
	Title	Spin Reorientation Phenomena in (Rj^R^Co^B Compounds
	Abstract	The variation of NMR spectra and magnetization with temperature in (Rj _ x R^) 2 Co 14 B (R = Y or Gd. R' = Tb. Dy or Ho 0 < .v < 1) have been measured. These compounds undergo spin reori-entation at a temperature T SR when Y and Gd are substituted by Tb, Dy and Ho, and the temperature T SR increases with the fraction x. Phase diagrams of spin arrangement in these systems have been obtained. The results are discussed from the view point of competition between the crystalline electric field and the Co-R exchange interaction.
	Reference	Z. Naturforsch. 51a, 726—730 (1996); received November 20 1995
	Published	1996
	Keywords	R 2 Co 14 B, Spin reorientation, Magnetic anisotropy, NMR, Magnetization
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	Identifier	ZNA-1996-51a-0726
	Volume	51

104	Author	Haruo Niki, Kikuhiro Kano, Masao Hashimoto	Requires cookie*
	Title	A Pulsed 35 C1 NQR Study on the Molecular Motions and Phase Transition of 4-Chlorobenzyl Alcohol
	Abstract	The spin-lattice and spin-spin relaxation times T t and T 2 of 35 C1 NQR were measured for the high (I) and low (II) temperature phases of 4-chlorobenzyl alcohol in the range 50< T/K <338 (transition and melting points: 236 and 343.5 K, respectively). In phase II the T x behavior in the range 50< T/K<90 can be explained by lattice vibrations and that in the range 90<T/K<190 by reorientation with an activation energy of ca. 3.8 kJ/mol. In phase I, the T x behavior at T>260 K is explainable by another reorientation with £ a %4.7 kJ/mol. The T, vs. T curves revealed that in both phases the crystal dynamics is anomalous in the vicinity of the transition temperature. Lattice defects accumulated in phases I and II by the phase transition were found to be responsible for the extremely short inverse line width parameters (7^).
	Reference	Z. Naturforsch. 51a, 731—735 (1996); received October 10 1995
	Published	1996
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	TEI-XML for	default:Reihe_A/51/ZNA-1996-51a-0731.pdf
	Identifier	ZNA-1996-51a-0731
	Volume	51

105	Author	J. Pirnat, Z. Trontelj, H. Borrmann	Requires cookie*
	Title	Chlorine NQR and Phase Transitions in NOC1
	Abstract	Chlorine NQR studies of solid nitrosyl chloride NOC1 at temperatures below 200 K were undertaken. They indicate an ionic character of the N-Cl chemical bond and confirm the phase transition near 140 K. Thermal hysteresis of the transition temperature was observed.
	Reference	Z. Naturforsch. 51a, 736—738 (1996); received October 20 1995
	Published	1996
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	Identifier	ZNA-1996-51a-0736
	Volume	51

106	Author	K. Yamada, T. Ohtani, S. Shirakawa, H. Ohki, T. Okuda, T. Kamiyama, K. Oikawa	Requires cookie*
	Title	Phase Transition of C 5 H 5 NHSbBr 4 Having a Hypervalent Bond: A 2 H NMR and X-Ray Diffraction Study* [Phase Transition of C 5 H 5 NHSbBr 4 l
	Abstract	The second order phase transition at 253 K of pyridinium tetrabromoantimonate(III), C 5 H 5 NHSbBr 4 , has been characterized by means of X-ray diffraction and 2 H NMR. As was suggested from the 81 Br NQR spectra, the Rietveld refinements of the X-ray diffraction patterns at 297 K and 116 K confirm the structural change of the anion from SbBr 4 to SbBr 3 • Br -. The line shape analysis of the 2 H NMR using the deuterated analog revealed that the librational amplitude of the pyridinium ring about the axis normal to the plane increased with temperature and its rms amplitude reaching ca. 25° at T c . The librational motion may induce the phase transition breaking the hydrogen bonds of the type N-H -Br. However, nearest-neighbor 2n/6 jump or reorientation such as seen in benzene were not observed even at 350 K.
	Reference	Z. Naturforsch. 51a, 739—744 (1996); received October 11 1995
	Published	1996
	Keywords	2 H NMR, 81 Br NQR, Rietveld analysis, Phase transition, Hypervalent bond
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	TEI-XML for	default:Reihe_A/51/ZNA-1996-51a-0739.pdf
	Identifier	ZNA-1996-51a-0739
	Volume	51

107	Author	R. K. Subramanian, S.Uma Maheswari, K. Venu, V.S S Sastry	Requires cookie*
	Title	NQR Investigation of Anion Dynamics in Rb 2 Zn(Cl 1 _ x Br x ) 4
	Abstract	The structural stability of Rb 2 Zn(Cl : -^Br^ (x = 1% and 3%) is investigated using the 35 C1 quadrupole resonance frequency and spin lattice relaxation time (T\q) in the paraelectric (PE) phase. The PE to incommensurate (IC) phase transition temperature 7", observed at 302 K in the pure compound, is lowered to 300 K for x = 1 % and to 293 K for x = 3%. These effects are smaller than in the earlier reported case of 3% Cs substitution in Rb 2 ZnCl 4 , which reduces T x by 25 K. While bigger cation substitution affects only the barrier for anion dynamics about directions perpendicular to the a-axis (direction of low temperature IC modulation wave), bigger anion substitution is found to affect the barrier for anion dynamics about the a-axis as well. The present study also indicates that the cusp like dip in 71 q observed while approaching T x from above (characterizing the soft mode condensation associated with the structural phase transition) is essentially unaffected by anion impurity substitution, in contrast to the case where bigger cation substitution tends to smear the transitional effects. These results seem to suggest the dominant role played by cations in stabilizing the PE phase of these A 2 BX 4 systems, in comparison to anions.
	Reference	Z. Naturforsch. 51a, 745—750 (1996); received January 30 1996
	Published	1996
	Keywords	NQR, A 2 BX 4 systems, Anion dynamics, Structural stability, Incommensurate phases
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	TEI-XML for	default:Reihe_A/51/ZNA-1996-51a-0745.pdf
	Identifier	ZNA-1996-51a-0745
	Volume	51

108	Author	A. D. Gordeev, A. N. Osipenko, G. B. Soifer	Requires cookie*
	Title	C1 NQR in Solid Trichloroacetyl Halides
	Abstract	By 35 C1 NQR the temperature dependences of the resonance frequencies and spin4attice relax-ation times for the 35 C1 nuclei have been studied in solid CCl 3 COHal (Hal = F, CI, Br, I). A linear correlation between the average 35 C1 NQR frequencies of the CC1 3 groups and the electronegativ-ities of the halogen atoms in the COHal groups has been discovered. The temperature-dependent NQR data reveal thermoactivated reorientations of the CCl 3 COHal molecules as a whole in the crystal lattice. The activation energies of this motion are found to lie in the range 31 -37 kJ mol
	Reference	Z. Naturforsch. 51a, 751—754 (1996); received October 20 1995
	Published	1996
	Keywords	NQR spectroscopy, Molecular motion, Trichloroacetyl halides
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	TEI-XML for	default:Reihe_A/51/ZNA-1996-51a-0751.pdf
	Identifier	ZNA-1996-51a-0751
	Volume	51

109	Author	Hiromitsu Terao, Tsutomu Okuda, Koji Yamada, Hideta Ishihara, Alarich Weiss	Requires cookie*
	Title	NQR and Phase Transitions of Tetramethylammonium Tetrahalogenomercurates (II)
	Abstract	NQR and DTA revealed phase transitions in [(CH 3) 4 N] 2 HgBr 4 and [(CH 3) 4 N] 2 HgI 4 at 272 K and 264 K, respectively. The NQR resonance lines faded out with increasing temperature. From preliminary measurements of 81 Br NQR spin-lattice relaxation times and 199 Hg NMR a reorienta-tional motion of HgBr 4 ions around one of their pseudo C 3 axes in the room temperature phase of [(CH 3) 4 N] 2 HgBr 4 is suggested. Key words: [(CH 3) 4 N] 2 HgX 4 , Phase transitions, Halogen NQR; 199 Hg NMR
	Reference	Z. Naturforsch. 51a, 755—760 (1996); received October 11 1995
	Published	1996
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	Identifier	ZNA-1996-51a-0755
	Volume	51

110	Author	H. Honda, M. Kenmotsu, N. Onoda-Yamamuro, H. Ohki, S. Ishimaru, R. Ikeda, Y. Furukawa	Requires cookie*
	Title	N and 133 Cs Solid NMR Studies on Ionic Dynamics in Plastic CsN0 2
	Abstract	The temperature dependence of the 15 N and 133 Cs NMR spin-lattice relaxation times, the 15 N spin-spin relaxation time, and the 1S N and 133 Cs spectra of CsNOi was observed in the plastic phase (209.2 < T < 673 K (m. p.)) and the low-temperature phase (Phase II). In Phase II we found the N07 180°-flip, which could be attributed to the anomalous increase of the heat capacity curve, and determined the activation energy of this motion to be 8.7-11.7 kJ mol -1 . The l5 N and 133 Cs spectra in this phase are inconsistent with the reported crystal structure R3m and can be explained by lower crystal symmetry. In the plastic phase we detected a new anionic motion with 11 kJ mol -1 , an isotropic N07 reorientation with 8.5-9 kJ mol -1 , and ionic self-diffusion with 47 kJ mol . The presence of ionic self-diffusion was confirmed by measuring the electrical conductivity.
	Reference	Z. Naturforsch. 51a, 761—768 (1996); received October 24 1995
	Published	1996
	Keywords	\|S N and 133 Cs Solid NMR, Plastic crystal Phase transition Chemical shift anisotropy, Electric field gradient
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	TEI-XML for	default:Reihe_A/51/ZNA-1996-51a-0761.pdf
	Identifier	ZNA-1996-51a-0761
	Volume	51

111	Author	HaeJin Kim, Kee Tae, Han, SungHo Choh	Requires cookie*
	Title	Temperature Dependence of 14 N NQR and Phase Transitions in KN0 2 Powder
	Abstract	The temperature dependence of 14 N NQR, measured at 77 to 300 K, is in better agreement with the model proposed by Blinc et al. than the Bayer theory. The nuclear quadrupole coupling constant and asymmetry parameter show a discontinuity at about 160 K and 230 K, respectively. The linewidths are broadened at these temperatures up to 22 kHz and 18 kHz, respectively. These results indicate that KN0 2 undergoes phase transitions at these two temperatures.
	Reference	Z. Naturforsch. 51a, 769—772 (1996); received April 2 1996
	Published	1996
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	TEI-XML for	default:Reihe_A/51/ZNA-1996-51a-0769.pdf
	Identifier	ZNA-1996-51a-0769
	Volume	51

112	Author	Takashi Ohno, Yutaka Kishimoto, Tatsuo Kanashiro, Mitsuhiro Miyamoto, Toshio Tanaka, Kazuo Miyatani	Requires cookie*
	Title	Change in 51 V Relaxation Rates due to CDW in CuV 2 S 4
	Abstract	The temperature variations of the 63 Cu, 65 Cu and 51 V NMR spectra and 51 V spin-lattice relaxation rate 1/T have been measured in a thiospinel CuV 2 S 4 . Drastic changes in the spectra and relaxation rates were observed at the charge density wave (CDW) transition temperature. With decreasing temperature T, 1 /Ti decreases exponentially due to the CDW transition (75 K < T< 90 K). The energy gap made by the CDW formation at 90 K is estimated to be 0.052 eV from an Arrhenius plot of 1/Tj.
	Reference	Z. Naturforsch. 51a, 773—776 (1996); received April 2 1996
	Published	1996
	Keywords	CuV 2 S 4, charge density wave (CDW), NMR spectra, spin-lattice relaxation rate, energy gap-
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	TEI-XML for	default:Reihe_A/51/ZNA-1996-51a-0773.pdf
	Identifier	ZNA-1996-51a-0773
	Volume	51

113	Author	Shi-Qi Dou, Hartmut Fuess, Roman Strauß, Alarich Weiss, Fachgebiet Strukturforschung, Fachbereich Materialwissenschaft	Requires cookie*
	Title	On the Structure of Some Pentaerythritol-Related Molecular Crystals with Pseudotetrahedral Molecular Structure. Ordered Structure of 2,2-Bis(bromomethyl)-l,3-propanediol and Orientationally Disordered Structure of 2-Chloromethy 1-2-methyl-1,3-dichloropropane; 35 C1 NQR
	Abstract	C(CH 2 C1) 3 (CH 3), melting point T m = 291.3 K, shows in the DTA/DSC experiment a phase tran-sition from an orientationally disordered plastic phase I into an ordered phase II at 7^" = 235.9 K. From 77 K up to the "Cl NQR spectrum is a triplet with (v in MHz, T=77 K) v t = 34.213, v 2 = 34.183, v 3 = 33.786. The 35 C1 NQR fade-out temperature T f = 247 K coincides with found from the DSC experiment. The plastic phase of 2-chloromethyl-2-methyl-l,3-propanediol is cubic bcc, Im3m, Z = 2 and the lattice constant increases linearly 755 pm at 235 K to 768 pm at 283 K. In the heating cycle we found (AH in kJ/mol): AH U ^ = 12.0, ASJR= 1.0. The compound belongs to the group of plastic molecules formed by ellipsoid like distorted tetrahedra and is derived by substitution from methane. The crystal structure of 2,2-bis(bromomethyl)-l,3-propanediol was determined. DTA-DSC show that an orientationally disordered plastic phase does not exist. At room temperature C(CH,Br) 2 (CH 2 OH) 2 crystallizes monoclinic, space group Cc, Z = 4, a = 628.2 pm, 6 = 2015.5 pm, c = 659.6 pm, /? = 94.27°. The molecules interact by intermolecular hydrogen bonds between the OH-groups and by van der Waals forces Br --Br.
	Reference	Z. Naturforsch. 51a, 777—785 (1996); received September 1 1995
	Published	1996
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	Identifier	ZNA-1996-51a-0777
	Volume	51

114	Author	D. Brinkmann	Requires cookie*
	Title	Inter-plane Coupling and Spin Gap -an NMR/NQR Look on Typical Properties of High-Temperature Superconductors
	Abstract	The paper discusses some NQR/NMR studies performed on Y-Ba-Cu-O superconductors at the University of Zürich. In particular, we review studies performed in Y 2 Ba 4 Cu 7 0 15 by measuring various planar Cu NQR/NMR parameters: the spin-lattice relaxation time, the Knight shift and the indirect component of the Gaussian contribution to the spin-spin relaxation time. The temperature dependence of these parameters reveals a coupling between adjacent planes of a double plane. The existence of the inter-plane coupling has independently been confirmed by performing NQR Spin-Echo Double Resonance (SEDOR) experiments. The appearance of a spin gap seems to be the consequence of inter-plane coupling.
	Reference	Z. Naturforsch. 51a, 786—792 (1996); received November 20 1995
	Published	1996
	Keywords	NQR, NMR, High-Temperature Superconductors, Inter-plane Coupling, Spin gap
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	TEI-XML for	default:Reihe_A/51/ZNA-1996-51a-0786.pdf
	Identifier	ZNA-1996-51a-0786
	Volume	51

115	Author	K. Ishida, H. Mukuda, Y. Kitaoka, K. Asayama, Y. Onuki	Requires cookie*
	Title	Ru NMR and NQR Studies in CeRu 2
	Abstract	We have carried out Ru NMR and NQR measurements in superconductor CeRu 2 having T c = 6.1 K in the temperature range of 1.3-30 K. From the 9y Ru NMR in 10.2 T above H c2 , T{T-const was found in the measured-T range, and the value of T,TK 2 is almost the same as that in the uncorrelated Korringa relation, suggesting that there does not exist the strong spin fluctuation of Ru d-spins. The property of the superconducting state was investigated by using Ru NQR. We observed the Hebel-Slichter peak just below T c and the exponential decrease in 1 /T,, indicating that this superconductivity has an ordinary s-wave character. The effect of Al substitution for Ru was also studied by NMR and NQR.
	Reference	Z. Naturforsch. 51a, 793—796 (1996); received February 1 1996
	Published	1996
	Keywords	Superconductor CeRu 2, NMR, NQR, T, Knight shift
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	TEI-XML for	default:Reihe_A/51/ZNA-1996-51a-0793.pdf
	Identifier	ZNA-1996-51a-0793
	Volume	51

116	Author	Takashi Ohno, Hironori Nishihara, Kuniyuki Koyama, Hiroshi Yasuoka	Requires cookie*
	Title	Cu(l) NQR in Y x _ x Pr x Ba 2 Cu 3 0 7
	Abstract	Cu(l) NQR spectra of the CuO chain site in Y x _ x Pr x Ba 2 Cu 3 0 7 (x = 0.1 and 0.2), and the 63 Cu(l) NQR spin-lattice relaxation rates 1/7 in Y 0 9 Pr 0 1 Ba 2 Cu 3 0 7 have been measured. The half widths are about three times wider than those of the pure YBa 2 Cu 3 0 7 . The peak frequencies are lowered by the Pr doping. This seems to indicate a decrease of on-site holes at the Cu(l) site. The relaxation rate 1/7 is found to obey the same temperature dependence, 1/7 = aT + £>T 3 as reported for pure YBa 2 Cu 3 0 7 . Key words: Y x _ x Pr x Ba 2 Cu 3 0 7 , CuO chain site, NQR, spectrum, spin-lattice relaxation rate.
	Reference	Z. Naturforsch. 51a, 797—800 (1996); received April 2 1996
	Published	1996
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	Identifier	ZNA-1996-51a-0797
	Volume	51

117	Author	K. Magishi, G.-Q Zheng, Y. Kitaoka, K. Asayama, K. Tokiwa, A. Iyo, H. Ihara	Requires cookie*
	Title	Cu-NMR Study in High-J c Superconductor HgBa 2 Ca 2 Cu 3 0 8 + 8
	Abstract	The 63 Cu nuclear transverse relaxation rates have been measured in the normal state on both square and pyramidal Cu0 2 planes in HgBa 2 Ca 2 Cu 3 O s + 8 with T c = 133 K. The Gaussian compo-nent of the spin-echo decay rate, 63 (1/T 2G), for both sites increases with decreasing temperature, followed by a peak around T* ~ 150 K, indicating that the spin correlation becomes stronger with decreasing temperature. Also, it is found that the magnitude of 63 (1/T 2G) for a square site is larger than that for a pyramidal one, suggesting that the spin correlation in the square plane is stronger than that in the pyramidal one. Key words: High-T c cuprate, HgBa 2 Ca 2 Cu 3 0 8 + 6 , 63 Cu-NMR, T 2G , Spin correlation.
	Reference	Z. Naturforsch. 51a, 801—803 (1996); received February 13 1996
	Published	1996
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	Identifier	ZNA-1996-51a-0801
	Volume	51

118	Author	Uwe Hohm	Requires cookie*
	Title	The Influence of Matter and Black-Body Radiation Photons on the Dipole Polarizabilities a and 7 of Atoms
	Abstract	The influence of the surroundings on the linear dipole polarizability a and second hyperpo-larizability 7 is discussed in terms of the density om of isotropically distributed matter as well as the density qp of thermal black-body radiation photons, a and 7 of the rare gas atoms are studied as examples. At standard conditions, both effects are of comparable size for the rare gases. Possible consequences for ion-molecule reaction rate constants in astronomical environments are suggested.
	Reference	Z. Naturforsch. 51a, 805—808 (1996); received April 4 1996
	Published	1996
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	Identifier	ZNA-1996-51a-0805
	Volume	51

119	Author	ReinerP. Schmid, Harold Jones	Requires cookie*
	Title	Laser Ionisation Spectroscopy of Formyl Fluoride
	Abstract	A vibronic band of formyl fluoride near 39,511 cm -1 has been observed using multiphoton ionisation spectroscopy. From the analysis of the partially resolved rotational structure, the rota-tional parameters of the (0, 2, 0, 0, 0, 0) vibrational level of an electronic state near 39,000 cm ~ 1 have been determined: A = 92.50(1.46) GHz and (B + C)/2 = 11.23(30) GHz. The term value was determined to be 39,510.93(30) cm -1 .
	Reference	Z. Naturforsch. 51a, 809—812 (1996); received April 3 1996
	Published	1996
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	Identifier	ZNA-1996-51a-0809
	Volume	51

120	Author	A. Marini, V. Berbenni, V. Massarotti, D. Capsoni, G. Bruni	Requires cookie*
	Title	Solid State Reaction Study of the System Co-Li 2 CO 3
	Abstract	A detailed analysis of the reactive processes taking place in Co-Li 2 C0 3 was performed by use of thermogravimetry and X-ray diffraction. A reaction model is proposed which accounts for the nature, stoichiometry, and amount of the phases present, at room temperature, in samples subjected to different thermal treatments. In particular it is shown that the thermal treatment influences substantially the final lithium content and the relative amount of the Li-containing phases. The results obtained for powdered samples are compared with those obtained in a previous work for plaques.
	Reference	Z. Naturforsch. 51a, 813—820 (1996); received March 18 1996
	Published	1996
	Keywords	Cobalt oxides, Li-containing phases, stoichiometry, reaction model
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	Identifier	ZNA-1996-51a-0813
	Volume	51

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