Nuclear Quadrupole Resonance Spectroscopy

Antimalarial Activity of some Conjugated Arylhydrazones: Ab Initio Calculation of Nuclear Quadrupole Coupling Constants (NQCC)

“Malaria” is a life-threatening blood disease in tropical regions that spreads by the bite of the Anopheles mosquito. Antimalarial medications are designed to cure or prevent this infection, and prosperous achievements in this area mostly depend on the knowing the drug-receptor interactions and active sites of medicine. This improvement can be achieved through understanding the electronic struc...

Multidimensional NQR Spectroscopy — A New Tool in Studies of Molecular Dynamics

Two-dimensional exchange Cl nuclear quadrupole resonance spectroscopy for studies of the CCl3-group reorientation processes in hexachloroethane and chloral hydrate has been applied. Experimental results were interpreted on the basis of the 2D exchange nuclear quadrupole resonance theory, which takes into account the off-resonance irradiation. It has been demonstrated that 2D nuclear quadrupole ...

Molecular Microstructure in Thermotropic Liquid Crystals Studied by Nuclear Quadrupole Resonance Spectroscopy

Study of Dehydrogenation of Pressure-induced NaBH4 Structures Using Calculated NQCC Parameters

Nuclear quadrupole resonance (NQR) spectroscopy is an accurate method for determination of electric charge distribution around quadrupolar nuclei. Using ab initio computational methods, it is possible to calculate the Nuclear Quadrupole Coupling Constants (NQCCs) with high accuracy and obtain the useful structural information by using these parameters. Sodium Borohydride, NaBH4, is a metal hydr...

Pulsed Nuclear Magnetic Resonance and Spin Echo

This experiment is an example of magnetic resonance a class of experiments in which very small energy separations (typically 10−7 eV) of quantum mechanical states are determined by measuring the frequency of a sinusoidally varying magnetic field, which induces transitions between the states. Some examples of magnetic resonance experiments are: nuclear magnetic resonance [1, 8], nuclear quadrupo...