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Migdal-Mikuli, Anna; Holderna-Natkaniec, Krystyna; Mikuli, Edward; Hetmanczyk, Lukasz; Natkaniec, Ireneusz, E-mail: hetmancz@chemia.uj.edu.pl2007
AbstractAbstract
[en] Quasielastic and inelastic incoherent neutron scattering (QENS and IINS) and the analysis of the second moment (M2) of proton magnetic resonance (1H NMR) line for [Zn(NH3)4](ClO4)2 crystals in the function of temperature are reported. The QENS peak registered at 75 K and also at higher temperatures shows distinct broadening, which is typical for dynamically, orientationally disordered crystals (ODIC). Reorientational motion of NH3 ligands can be well described by a model of 120o proton jumps around a 3-fold axis of Zn-N bonds on a picoseconds time scale. The NH3 do not drastically change either the jump rate or the character of their reorientational motion at the phase transitions at: TC1 ∼ 271 K and TC2 ∼ 164 K. However, it undergoes a very small change of the activation energy Ea (120o) value for such a motion at TC2. The estimated Ea value equals 2.5 kJ mol-1 for high and intermediate temperature phases and 1.7 kJ mol-1 for the low temperature phase. 1H NMR studies revealed that NH3 ligands perform reorientation around the 3-fold symmetry axis close to 90 K when the second moment of the H NMR line exhibits the plateau of M2 (reorientational correlation time is less than reciprocal of the line width). The estimated Ea(120o) ∼ 3 kJ mol-1 is in quite good agreement with that calculated from the QENS measurements. Above the phase transition at TC2, the anisotropic reorientation of the whole [Zn(NH3)4]2+ cation around the 3-fold symmetry axis is set in motion with a frequency in the order of several kHz (the 1H NMR line width)
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S0301-0104(07)00143-7; Copyright (c) 2007 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Record Type
Journal Article
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ACTIVATION ENERGY, AMMONIA, ANISOTROPY, CATIONS, CHLORATES, CHLORINE OXIDES, CRYSTALS, HYDROGEN 1, KHZ RANGE 01-100, LIGANDS, LINE WIDTHS, NEUTRON DIFFRACTION, NUCLEAR MAGNETIC RESONANCE, ORGANOMETALLIC COMPOUNDS, PHASE TRANSFORMATIONS, PROTONS, SYMMETRY, TEMPERATURE DEPENDENCE, TEMPERATURE RANGE 0065-0273 K, ZINC COMPOUNDS
BARYONS, CHALCOGENIDES, CHARGED PARTICLES, CHLORINE COMPOUNDS, COHERENT SCATTERING, DIFFRACTION, ELEMENTARY PARTICLES, ENERGY, FERMIONS, FREQUENCY RANGE, HADRONS, HALOGEN COMPOUNDS, HYDRIDES, HYDROGEN COMPOUNDS, HYDROGEN ISOTOPES, IONS, ISOTOPES, KHZ RANGE, LIGHT NUCLEI, MAGNETIC RESONANCE, NITROGEN COMPOUNDS, NITROGEN HYDRIDES, NUCLEI, NUCLEONS, ODD-EVEN NUCLEI, ORGANIC COMPOUNDS, OXIDES, OXYGEN COMPOUNDS, RESONANCE, SCATTERING, STABLE ISOTOPES, TEMPERATURE RANGE
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