Janez Seliger

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Nuclear quadrupole resonance (NQR) is used as a method for the characterization of cocrystals and crystal polymorphs. (14)N NQR spectra of several cocrystals of carbamazepine have been measured together with the (14)N NQR spectra of cocrystal formers. The results show that the (14)N NQR spectrum of a cocrystal and the (14)N NQR spectra of cocrystal formers(More)
Two antibacterial and antifungal agents, chloroxylenol (4-chloro-3,5-dimethyl-phenol) and triclosan (5-chloro-2-(2',4'-dichlorophenoxy)-phenol), were studied experimentally in solid state with an X-ray, (35)Cl-nuclear quadrupole resonance (NQR) and (17)O-nuclear quadrupole double resonance (NQDR) spectroscopies and, theoretically, with the density(More)
A potential antileukemic and anticancer agent, 2-thiocytosine (2-TC), has been studied experimentally in the solid state by (1)H-(14)N NMR-NQR double resonance (NQDR) and theoretically by the quantum theory of atoms in molecules (QTAIM)/density functional theory (DFT). Eighteen resonance frequencies on (14)N were detected at 180 K and assigned to particular(More)
The use of Zeeman perturbed 14N nuclear quadrupole resonance (NQR) to determine the ν+ and ν-14N lines in polycrystalline samples with several nonequivalent nitrogen atoms was investigated. The 14N NQR line shift due to a weak external Zeeman magnetic field was calculated, assuming isotropic distribution of EFG tensor directions. We calculated the broad(More)
A study was conducted to test the capability of the (14)N nuclear quadrupole resonance (NQR) method to discriminate qualitatively and quantitatively among different forms of piroxicam. Samples of commercial piroxicam form I and its monohydrate were obtained on the local market. Additionally, samples of form I and II were prepared by recrystallization in(More)
We measured the proton spin-lattice relaxation times in the isotropic phase of liquid crystal 4-n-pentyl-4-cyanobiphenyl (5CB) confined into porous glass (CPG) with the average pore diameter approximately 72 nm. The analysis of T1(-1) frequency dispersions, spanning over four decades, shows that the main relaxation mechanism induced by the ordered surface(More)
14N nuclear quadrupole resonance (NQR) frequencies have been measured in picolinamide, nicotinamide, isonicotinamide, 2,6-pyridine dicarboxamide, and acetamide by double resonance. The 14N NQR spectra in picolinamide, nicotinamide, isonicotinamide, and 2,6-pyridine dicarboxamide show the presence of two distinct nitrogen positions: the ring position with(More)
Protein kinase CK2 inhibitors, polyhalogenated benzimidazoles, have been studied experimentally in solid state by NMR-NQR double resonance and X-ray and theoretically by the density functional theory (DFT). Six resonance frequencies on (14)N have been detected and assigned to particular nitrogen sites in each polyhalogenated benzimidazole molecule. The(More)
(1)H-(14)N nuclear quadrupole double resonance using magnetic field cycling between high and low magnetic field and solid effect in the low magnetic field is analyzed in details. The transition probabilities per unit time for the solid-effect transitions are calculated. The double resonance spectra are calculated in the limiting cases of fast and slow(More)
  • J Seliger
  • 1997
A new NQR method of measuring the spectral density of slow motions in solids is proposed. It is shown that also in NQR a 90 degrees phase shift of a resonant rf magnetic field following a 90 degrees pulse locks the nuclear magnetization in a 'rotating frame' similarly as in NMR. The spin-lattice relaxation time T1 rho of the locked magnetization is(More)