The Distribution Change of Relaxation Times in 35Cl NQR for Phase Transitions in p-Dichlorobenzene

Dolinenkov, P.; Korneva, I. P.; Sinyavsky, N.

doi:10.1007/s00723-014-0614-7

Cited by 8 publications

(2 citation statements)

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“…NQR studies revealed that the 35 Cl signal shifted to high frequencies (from 35.85 to 36.5 MHz) when the temperature fell from 300 to 120 K (the temperature of phase transition), whereas the signal was quite stable at temperatures below the transition state ( Figure 3 ). A similar trend was observed for 1,3-diazinium hydrogen chloranilate monohydrate [ 25 ], morpholinium hydrogen chloranilate [ 26 ] and p -dichlorobenzene [ 27 ].…”

Section: Resultssupporting

confidence: 74%

Polymorphism and Conformational Equilibrium of Nitro-Acetophenone in Solid State and under Matrix Conditions

et al. 2021

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Conformational and polymorphic states in the nitro-derivative of o-hydroxy acetophenone have been studied by experimental and theoretical methods. The potential energy curves for the rotation of the nitro group and isomerization of the hydroxyl group have been calculated by density functional theory (DFT) to estimate the barriers of the conformational changes. Two polymorphic forms of the studied compound were obtained by the slow and fast evaporation of polar and non-polar solutions, respectively. Both of the polymorphs were investigated by Infrared-Red (IR) and Raman spectroscopy, Incoherent Inelastic Neutron Scattering (IINS), X-ray diffraction, nuclear quadrupole resonance spectroscopy (NQR), differential scanning calorimetry (DSC) and density functional theory (DFT) methods. In one of the polymorphs, the existence of a phase transition was shown. The position of the nitro group and its impact on the crystal cell of the studied compound were analyzed. The conformational equilibrium determined by the reorientation of the hydroxyl group was observed under argon matrix isolation. An analysis of vibrational spectra was achieved for the interpretation of conformational equilibrium. The infrared spectra were measured in a wide temperature range to reveal the spectral bands that were the most sensitive to the phase transition and conformational equilibrium. The results showed the interrelations between intramolecular processes and macroscopic phenomena in the studied compound.

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Section: Resultssupporting

confidence: 74%

Polymorphism and Conformational Equilibrium of Nitro-Acetophenone in Solid State and under Matrix Conditions

et al. 2021

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“…The study of the phase transitions in molecular crystals of paradichlorobenzene by NQR relaxometry with the inverse Laplace transform (ILT) [9] allowed establishing the features of the β → α phase transition in a porous material. The crystallisation of potassium chlorate from an aqueous solution by means of 35 Cl NQR was studied in Ref.…”

Section: Introductionmentioning

confidence: 99%

Application of Nuclear Quadrupole Resonance Relaxometry to Study the Influence of the Environment on the Surface of the Crystallites of Powder

Sinyavsky¹,

Mershiev

Kupriyanova

2015

Zeitschrift Für Naturforschung A

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The results of the experimental study of the influence of the environment surrounding the surface of the crystallites of a KClO 3 powder on the distribution of the spin-spin and spin-lattice relaxation times for 35 Cl nuclear quadrupole resonance are described. It was found that the distributions of the spin-lattice relaxation times are unimodal and distributions of the spin-spin relaxation times are bimodal for all samples we studied. T 1 -T 2 and T 1ρ -T 2 correlations by means of the two-dimensional (2D) inverse Laplace transform are obtained. The efficiency of the method for the study of surface phenomena in solids is demonstrated.

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Two-Dimensional Frequency-Relaxation Nuclear Magnetic and Nuclear Quadrupole Resonance Spectroscopies

Sinyavsky

Mershiev

2019

Russ Phys J

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The Distribution Change of Relaxation Times in 35Cl NQR for Phase Transitions in p-Dichlorobenzene

Cited by 8 publications

References 5 publications

Polymorphism and Conformational Equilibrium of Nitro-Acetophenone in Solid State and under Matrix Conditions

Polymorphism and Conformational Equilibrium of Nitro-Acetophenone in Solid State and under Matrix Conditions

Application of Nuclear Quadrupole Resonance Relaxometry to Study the Influence of the Environment on the Surface of the Crystallites of Powder

Two-Dimensional Frequency-Relaxation Nuclear Magnetic and Nuclear Quadrupole Resonance Spectroscopies

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